IngredientID 34121

Napst

C8H8

Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Experiment: 12Herb: 12Ingredient: 1Target: 12Links: 36

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 34121
Core Entity Id: 41121
Source Entity Count: 1
Preferred Name: Napst
Name En
Pubchem Id: 7406
Smiles Canonical: C=Cc1ccccc1
Molecular Formula: C8H8
Molecular Weight: 104.1520
Inchikey: PPBRXRYQALVLMV-UHFFFAOYSA-N
Inchi: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
Isomeric Smiles: C=CC1=CC=CC=C1
Cas Id: 51609-83-7
Ob Score: 29.5450
Mol Logp: 2.3296
Num H Donors: 0
Num H Acceptors: 0
Num Rotatable Bonds: 1
Drug Likeness: 0.5130
Polar Surface Area: 0.0000
Molecular Volume: 87.1200
Alogp: 2.3810

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Napst

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Napst

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Napst

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Styrene

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Styrene

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Styrene

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Styrene

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

styrene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

陈皮

Role

TCM_name

Source

TCMBank

Preferred

Name

Pericarpium Citri Reticulatae

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(1-Methylethyl)benzene

Role

alias

Source

HERB_v2

Preferred

Name

(1-Methylethyl)benzene

Role

alias

Source

itcmdb_public

Preferred

Name

100-42-5

Role

alias

Source

itcmdb_public

Preferred

Name

100-42-5

Role

alias

Source

HERB_v2

Preferred

Name

2-Phenylpropane

Role

alias

Source

HERB_v2

Preferred

Name

2-Phenylpropane

Role

alias

Source

itcmdb_public

Preferred

Name

98-82-8

Role

alias

Source

itcmdb_public

Preferred

Name

98-82-8

Role

alias

Source

HERB_v2

Preferred

Name

Benzene, (1-methylethyl)-

Role

alias

Source

itcmdb_public

Preferred

Name

Benzene, (1-methylethyl)-

Role

alias

Source

HERB_v2

Preferred

Name

Benzene, ethenyl-

Role

alias

Source

HERB_v2

Preferred

Name

Benzene, ethenyl-

Role

alias

Source

itcmdb_public

Preferred

Name

CUMENE

Role

alias

Source

HERB_v2

Preferred

Name

CUMENE

Role

alias

Source

itcmdb_public

Preferred

Name

Cinnamene

Role

alias

Source

itcmdb_public

Preferred

Name

Cinnamene

Role

alias

Source

HERB_v2

Preferred

Name

Cumeen

Role

alias

Source

HERB_v2

Preferred

Name

Cumeen

Role

alias

Source

itcmdb_public

Preferred

Name

Cumol

Role

alias

Source

HERB_v2

Preferred

Name

Cumol

Role

alias

Source

itcmdb_public

Preferred

Name

Ethenylbenzene

Role

alias

Source

HERB_v2

Preferred

Name

Ethenylbenzene

Role

alias

Source

itcmdb_public

Preferred

Name

Isopropilbenzene

Role

alias

Source

itcmdb_public

Preferred

Name

Isopropilbenzene

Role

alias

Source

HERB_v2

Preferred

Name

Isopropylbenzene

Role

alias

Source

HERB_v2

Preferred

Name

Isopropylbenzene

Role

alias

Source

itcmdb_public

Preferred

Name

Isopropylbenzol

Role

alias

Source

itcmdb_public

Preferred

Name

Isopropylbenzol

Role

alias

Source

HERB_v2

Preferred

Name

Phenylethene

Role

alias

Source

HERB_v2

Preferred

Name

Phenylethene

Role

alias

Source

itcmdb_public

Preferred

Name

Phenylethylene

Role

alias

Source

itcmdb_public

Preferred

Name

Phenylethylene

Role

alias

Source

HERB_v2

Preferred

Name

Styrol

Role

alias

Source

HERB_v2

Preferred

Name

Styrol

Role

alias

Source

itcmdb_public

Preferred

Name

Styrolene

Role

alias

Source

itcmdb_public

Preferred

Name

Styrolene

Role

alias

Source

HERB_v2

Preferred

Name

Vinylbenzene

Role

alias

Source

itcmdb_public

Preferred

Name

Vinylbenzene

Role

alias

Source

HERB_v2

Preferred

Name

5.理气药(22-22)

Role

level1_name

Source

TCMBank

Preferred

Name

qi-regulating medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

安息香

Role

TCM_name

Source

TCMBank

Preferred

Name

AN XI XIANG

Role

TCM_name2

Source

TCMBank

Preferred

Name

Benzoin; Sumatra Snowbell

Role

TCM_name_en

Source

TCMBank

Preferred

Name

1-methylethylbenzene

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(propan-2-yl)benzene

Role

alias

Source

TCMBank

Preferred

Name

105270-05-1

Role

alias

Source

TCMBank

Preferred

Name

11120-46-0

Role

alias

Source

TCMBank

Preferred

Name

117079-77-3

Role

alias

Source

TCMBank

Preferred

Name

120037-99-2

Role

alias

Source

TCMBank

Preferred

Name

12627-11-1

Role

alias

Source

TCMBank

Preferred

Name

144637-93-4

Role

alias

Source

TCMBank

Preferred

Name

168N15

Role

alias

Source

TCMBank

Preferred

Name

172641-48-4

Role

alias

Source

TCMBank

Preferred

Name

172867-64-0

Role

alias

Source

TCMBank

Preferred

Name

2-Fenilpropano

Role

alias

Source

TCMBank

Preferred

Name

2-Fenilpropano [Italian]

Role

alias

Source

TCMBank

Preferred

Name

2-Fenyl-propaan

Role

alias

Source

TCMBank

Preferred

Name

2-Fenyl-propaan [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

28220_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

28230_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

31N (styrene polymer)

Role

alias

Source

TCMBank

Preferred

Name

36698_RIEDEL

Role

alias

Source

TCMBank

Preferred

Name

39470-87-6

Role

alias

Source

TCMBank

Preferred

Name

40494-15-3

Role

alias

Source

TCMBank

Preferred

Name

454H

Role

alias

Source

TCMBank

Preferred

Name

475U

Role

alias

Source

TCMBank

Preferred

Name

51609-83-7

Role

alias

Source

TCMBank

Preferred

Name

51609-87-1

Role

alias

Source

TCMBank

Preferred

Name

52932-49-7

Role

alias

Source

TCMBank

Preferred

Name

53112-49-5

Role

alias

Source

TCMBank

Preferred

Name

53986-84-8

Role

alias

Source

TCMBank

Preferred

Name

54596-41-7

Role

alias

Source

TCMBank

Preferred

Name

550P (styrene polymer)

Role

alias

Source

TCMBank

Preferred

Name

55128-06-8

Role

alias

Source

TCMBank

Preferred

Name

55465-00-4

Role

alias

Source

TCMBank

Preferred

Name

56451-72-0

Role

alias

Source

TCMBank

Preferred

Name

56748-62-0

Role

alias

Source

TCMBank

Preferred

Name

57657-06-4

Role

alias

Source

TCMBank

Preferred

Name

58033-91-3

Role

alias

Source

TCMBank

Preferred

Name

60120-16-3

Role

alias

Source

TCMBank

Preferred

Name

60328-46-3

Role

alias

Source

TCMBank

Preferred

Name

60880-98-0

Role

alias

Source

TCMBank

Preferred

Name

61584-89-2

Role

alias

Source

TCMBank

Preferred

Name

61584-90-5

Role

alias

Source

TCMBank

Preferred

Name

63849-49-0

Role

alias

Source

TCMBank

Preferred

Name

666U

Role

alias

Source

TCMBank

Preferred

Name

68333-89-1

Role

alias

Source

TCMBank

Preferred

Name

68411-37-0

Role

alias

Source

TCMBank

Preferred

Name

68553-94-6

Role

alias

Source

TCMBank

Preferred

Name

686E

Role

alias

Source

TCMBank

Preferred

Name

81834-12-0

Role

alias

Source

TCMBank

Preferred

Name

825TV

Role

alias

Source

TCMBank

Preferred

Name

86090-91-7

Role

alias

Source

TCMBank

Preferred

Name

9044-64-8

Role

alias

Source

TCMBank

Preferred

Name

9055-91-8

Role

alias

Source

TCMBank

Preferred

Name

98444-30-5

Role

alias

Source

TCMBank

Preferred

Name

A 180 (vinyl polymer)

Role

alias

Source

TCMBank

Preferred

Name

A 3-80

Role

alias

Source

TCMBank

Preferred

Name

A 75 (vinyl polymer)

Role

alias

Source

TCMBank

Preferred

Name

AI3-04630

Role

alias

Source

TCMBank

Preferred

Name

Adion H

Role

alias

Source

TCMBank

Preferred

Name

Afcolene

Role

alias

Source

TCMBank

Preferred

Name

Afcolene 492

Role

alias

Source

TCMBank

Preferred

Name

Afcolene 666

Role

alias

Source

TCMBank

Preferred

Name

Afcolene S 100

Role

alias

Source

TCMBank

Preferred

Name

Atactic polystyrene

Role

alias

Source

TCMBank

Preferred

Name

BASF III

Role

alias

Source

TCMBank

Preferred

Name

BDH 29-790

Role

alias

Source

TCMBank

Preferred

Name

BENZENE,ISOPROPYL CUMOL

Role

alias

Source

TCMBank

Preferred

Name

BP-Klp

Role

alias

Source

TCMBank

Preferred

Name

BSB-S 40

Role

alias

Source

TCMBank

Preferred

Name

BSB-S-E

Role

alias

Source

TCMBank

Preferred

Name

Bactolatex

Role

alias

Source

TCMBank

Preferred

Name

Bakelite SMD 3500

Role

alias

Source

TCMBank

Preferred

Name

Benzene, (1-methylethyl)-, oxidized, polyphenyl residues

Role

alias

Source

TCMBank

Preferred

Name

Benzene, (1-methylethyl)-, oxidized, sulfurized by-products

Role

alias

Source

TCMBank

Preferred

Name

Benzene, ethenyl-, homopolymer

Role

alias

Source

TCMBank

Preferred

Name

Benzene, isopropyl

Role

alias

Source

TCMBank

Preferred

Name

Bextrene XL 750

Role

alias

Source

TCMBank

Preferred

Name

Bicolastic A 75

Role

alias

Source

TCMBank

Preferred

Name

Bicolene H

Role

alias

Source

TCMBank

Preferred

Name

Bio-Beads S-S 2

Role

alias

Source

TCMBank

Preferred

Name

Bustren

Role

alias

Source

TCMBank

Preferred

Name

Bustren K 500

Role

alias

Source

TCMBank

Preferred

Name

Bustren K 525-19

Role

alias

Source

TCMBank

Preferred

Name

Bustren U 825

Role

alias

Source

TCMBank

Preferred

Name

Bustren U 825E11

Role

alias

Source

TCMBank

Preferred

Name

Bustren Y 3532

Role

alias

Source

TCMBank

Preferred

Name

Bustren Y 825

Role

alias

Source

TCMBank

Preferred

Name

C14396

Role

alias

Source

TCMBank

Preferred

Name

C87657_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:34656

Role

alias

Source

TCMBank

Preferred

Name

Cadco 0115

Role

alias

Source

TCMBank

Preferred

Name

Carinex GP

Role

alias

Source

TCMBank

Preferred

Name

Carinex HR

Role

alias

Source

TCMBank

Preferred

Name

Carinex HRM

Role

alias

Source

TCMBank

Preferred

Name

Carinex SB 59

Role

alias

Source

TCMBank

Preferred

Name

Carinex SB 61

Role

alias

Source

TCMBank

Preferred

Name

Carinex SL 273

Role

alias

Source

TCMBank

Preferred

Name

Carinex tgx/MF

Role

alias

Source

TCMBank

Preferred

Name

Copal Z

Role

alias

Source

TCMBank

Preferred

Name

Cosden 550

Role

alias

Source

TCMBank

Preferred

Name

Cosden 945E

Role

alias

Source

TCMBank

Preferred

Name

Cumeen [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

Denka QP3

Role

alias

Source

TCMBank

Preferred

Name

Diarex 43G

Role

alias

Source

TCMBank

Preferred

Name

Diarex HF 55

Role

alias

Source

TCMBank

Preferred

Name

Diarex HF 55-247

Role

alias

Source

TCMBank

Preferred

Name

Diarex HS 77

Role

alias

Source

TCMBank

Preferred

Name

Diarex HT 190

Role

alias

Source

TCMBank

Preferred

Name

Diarex HT 500

Role

alias

Source

TCMBank

Preferred

Name

Diarex HT 88

Role

alias

Source

TCMBank

Preferred

Name

Diarex HT 88A

Role

alias

Source

TCMBank

Preferred

Name

Diarex HT 90

Role

alias

Source

TCMBank

Preferred

Name

Diarex YH 476

Role

alias

Source

TCMBank

Preferred

Name

Dorvon

Role

alias

Source

TCMBank

Preferred

Name

Dorvon FR 100

Role

alias

Source

TCMBank

Preferred

Name

Dow 1683

Role

alias

Source

TCMBank

Preferred

Name

Dow 360

Role

alias

Source

TCMBank

Preferred

Name

Dow 456

Role

alias

Source

TCMBank

Preferred

Name

Dow 665

Role

alias

Source

TCMBank

Preferred

Name

Dow 860

Role

alias

Source

TCMBank

Preferred

Name

Dow MX 5514

Role

alias

Source

TCMBank

Preferred

Name

Dow MX 5516

Role

alias

Source

TCMBank

Preferred

Name

Dylark 250

Role

alias

Source

TCMBank

Preferred

Name

Dylene

Role

alias

Source

TCMBank

Preferred

Name

Dylene 8

Role

alias

Source

TCMBank

Preferred

Name

Dylene 8G

Role

alias

Source

TCMBank

Preferred

Name

Dylene 9

Role

alias

Source

TCMBank

Preferred

Name

Dylite F 40

Role

alias

Source

TCMBank

Preferred

Name

Dylite F 40L

Role

alias

Source

TCMBank

Preferred

Name

EINECS 202-704-5

Role

alias

Source

TCMBank

Preferred

Name

EINECS 269-798-8

Role

alias

Source

TCMBank

Preferred

Name

EINECS 270-120-8

Role

alias

Source

TCMBank

Preferred

Name

Edistir RB

Role

alias

Source

TCMBank

Preferred

Name

Esbrite

Role

alias

Source

TCMBank

Preferred

Name

Esbrite 2

Role

alias

Source

TCMBank

Preferred

Name

Esbrite 4

Role

alias

Source

TCMBank

Preferred

Name

Esbrite 4-62

Role

alias

Source

TCMBank

Preferred

Name

Esbrite 500HM

Role

alias

Source

TCMBank

Preferred

Name

Esbrite 8

Role

alias

Source

TCMBank

Preferred

Name

Esbrite G 10

Role

alias

Source

TCMBank

Preferred

Name

Esbrite G-P 2

Role

alias

Source

TCMBank

Preferred

Name

Esbrite LBL

Role

alias

Source

TCMBank

Preferred

Name

Escorez 7404

Role

alias

Source

TCMBank

Preferred

Name

Estyrene 4-62

Role

alias

Source

TCMBank

Preferred

Name

Estyrene 500SH

Role

alias

Source

TCMBank

Preferred

Name

Estyrene G 15

Role

alias

Source

TCMBank

Preferred

Name

Estyrene G 20

Role

alias

Source

TCMBank

Preferred

Name

Estyrene G-P 4

Role

alias

Source

TCMBank

Preferred

Name

Estyrene H 61

Role

alias

Source

TCMBank

Preferred

Name

Ethenylbenzene homopolymer

Role

alias

Source

TCMBank

Preferred

Name

FC-MY 5450

Role

alias

Source

TCMBank

Preferred

Name

FG 834

Role

alias

Source

TCMBank

Preferred

Name

Foster grant 834

Role

alias

Source

TCMBank

Preferred

Name

Gedex

Role

alias

Source

TCMBank

Preferred

Name

HF 10

Role

alias

Source

TCMBank

Preferred

Name

HF 55

Role

alias

Source

TCMBank

Preferred

Name

HF 77

Role

alias

Source

TCMBank

Preferred

Name

HH 102

Role

alias

Source

TCMBank

Preferred

Name

HHI 11

Role

alias

Source

TCMBank

Preferred

Name

HI-Styrol

Role

alias

Source

TCMBank

Preferred

Name

HSDB 172

Role

alias

Source

TCMBank

Preferred

Name

HT 88

Role

alias

Source

TCMBank

Preferred

Name

HT 88A

Role

alias

Source

TCMBank

Preferred

Name

HT 91-1

Role

alias

Source

TCMBank

Preferred

Name

HT-F 76

Role

alias

Source

TCMBank

Preferred

Name

Hostyren N

Role

alias

Source

TCMBank

Preferred

Name

Hostyren N 4000

Role

alias

Source

TCMBank

Preferred

Name

Hostyren N 4000V

Role

alias

Source

TCMBank

Preferred

Name

Hostyren N 7001

Role

alias

Source

TCMBank

Preferred

Name

Hostyren S

Role

alias

Source

TCMBank

Preferred

Name

IT 40

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H

Role

alias

Source

TCMBank

Preferred

Name

Isopropilbenzene [Italian]

Role

alias

Source

TCMBank

Preferred

Name

Isopropyl-benzol [German]

Role

alias

Source

TCMBank

Preferred

Name

Isopropylbenzeen

Role

alias

Source

TCMBank

Preferred

Name

Isopropylbenzeen [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

Isopropylbenzen

Role

alias

Source

TCMBank

Preferred

Name

Isopropylbenzene [UN1918] [Flammable liquid]

Role

alias

Source

TCMBank

Preferred

Name

K 525

Role

alias

Source

TCMBank

Preferred

Name

KB (Polymer)

Role

alias

Source

TCMBank

Preferred

Name

KM (Polymer)

Role

alias

Source

TCMBank

Preferred

Name

KR 2537

Role

alias

Source

TCMBank

Preferred

Name

Koplen 2

Role

alias

Source

TCMBank

Preferred

Name

Krasten 052

Role

alias

Source

TCMBank

Preferred

Name

Krasten 1.4

Role

alias

Source

TCMBank

Preferred

Name

Krasten SB

Role

alias

Source

TCMBank

Preferred

Name

LS 061A

Role

alias

Source

TCMBank

Preferred

Name

LS 1028E

Role

alias

Source

TCMBank

Preferred

Name

Lacqren 506

Role

alias

Source

TCMBank

Preferred

Name

Lacqren 550

Role

alias

Source

TCMBank

Preferred

Name

Latex

Role

alias

Source

TCMBank

Preferred

Name

Lustrex

Role

alias

Source

TCMBank

Preferred

Name

Lustrex H 77

Role

alias

Source

TCMBank

Preferred

Name

Lustrex HH 101

Role

alias

Source

TCMBank

Preferred

Name

Lustrex HP 77

Role

alias

Source

TCMBank

Preferred

Name

Lustrex HT 88

Role

alias

Source

TCMBank

Preferred

Name

MX 4500

Role

alias

Source

TCMBank

Preferred

Name

MX 5514

Role

alias

Source

TCMBank

Preferred

Name

MX 5516

Role

alias

Source

TCMBank

Preferred

Name

MX 5517-02

Role

alias

Source

TCMBank

Preferred

Name

N 4000V

Role

alias

Source

TCMBank

Preferred

Name

NBS 706

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091155-01

Role

alias

Source

TCMBank

Preferred

Name

NSC8776

Role

alias

Source

TCMBank

Preferred

Name

NaPst

Role

alias

Source

TCMBank

Preferred

Name

Owispol GF

Role

alias

Source

TCMBank

Preferred

Name

Pelaspan 333

Role

alias

Source

TCMBank

Preferred

Name

Pelaspan Esp 109s

Role

alias

Source

TCMBank

Preferred

Name

Phenol bottoms

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic A

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic A 25

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic A 5

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic A 50

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic A 75

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic C 125

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic D

Role

alias

Source

TCMBank

Preferred

Name

Piccolastic D-100

Role

alias

Source

TCMBank

Preferred

Name

Polyphenyl residue

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene resin

Role

alias

Source

TCMBank

Preferred

Name

Propane, 2-phenyl-

Role

alias

Source

TCMBank

Preferred

Name

R 3

Role

alias

Source

TCMBank

Preferred

Name

R 3612

Role

alias

Source

TCMBank

Preferred

Name

RCRA waste no. U055

Role

alias

Source

TCMBank

Preferred

Name

RCRA waste number U055

Role

alias

Source

TCMBank

Preferred

Name

S 173

Role

alias

Source

TCMBank

Preferred

Name

ST5214393

Role

alias

Source

TCMBank

Preferred

Name

Styrene polymer

Role

alias

Source

TCMBank

Preferred

Name

Styrofoam

Role

alias

Source

TCMBank

Preferred

Name

Sulfurized by-product of cumene oxidation

Role

alias

Source

TCMBank

Preferred

Name

U625

Role

alias

Source

TCMBank

Preferred

Name

UN1918

Role

alias

Source

TCMBank

Preferred

Name

WLN: 1Y1 & R

Role

alias

Source

TCMBank

Preferred

Name

X 600

Role

alias

Source

TCMBank

Preferred

Name

00926_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00928_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00945_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00946_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00947_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00948_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00949_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00951_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00952_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00953_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

00954_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

03565_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

1083095-63-9

Role

alias

Source

TCMBank

Preferred

Name

110866-50-7

Role

alias

Source

TCMBank

Preferred

Name

1160710-79-1

Role

alias

Source

TCMBank

Preferred

Name

1161074-30-1

Role

alias

Source

TCMBank

Preferred

Name

117294-EP2275408A1

Role

alias

Source

TCMBank

Preferred

Name

117294-EP2287158A1

Role

alias

Source

TCMBank

Preferred

Name

117294-EP2298762A2

Role

alias

Source

TCMBank

Preferred

Name

1187742-34-2

Role

alias

Source

TCMBank

Preferred

Name

1191987-17-3

Role

alias

Source

TCMBank

Preferred

Name

1198090-46-8

Role

alias

Source

TCMBank

Preferred

Name

120534-26-1

Role

alias

Source

TCMBank

Preferred

Name

1227265-55-5

Role

alias

Source

TCMBank

Preferred

Name

124229-31-8

Role

alias

Source

TCMBank

Preferred

Name

124229-48-7

Role

alias

Source

TCMBank

Preferred

Name

1263545-74-9

Role

alias

Source

TCMBank

Preferred

Name

12770-88-6

Role

alias

Source

TCMBank

Preferred

Name

131495-39-1

Role

alias

Source

TCMBank

Preferred

Name

137262-45-4

Role

alias

Source

TCMBank

Preferred

Name

143365-EP2287165A2

Role

alias

Source

TCMBank

Preferred

Name

143365-EP2287166A2

Role

alias

Source

TCMBank

Preferred

Name

143365-EP2292620A2

Role

alias

Source

TCMBank

Preferred

Name

149212-19-1

Role

alias

Source

TCMBank

Preferred

Name

155197-45-8

Role

alias

Source

TCMBank

Preferred

Name

157243-21-5

Role

alias

Source

TCMBank

Preferred

Name

157929-02-7

Role

alias

Source

TCMBank

Preferred

Name

161776-45-0

Role

alias

Source

TCMBank

Preferred

Name

171022-02-9

Role

alias

Source

TCMBank

Preferred

Name

171022-09-6

Role

alias

Source

TCMBank

Preferred

Name

182427_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

182435_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

189596_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

2-phenylethenyl

Role

alias

Source

TCMBank

Preferred

Name

20202_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

20215_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

20217_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

20225_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

219782-52-2

Role

alias

Source

TCMBank

Preferred

Name

23065-05-6

Role

alias

Source

TCMBank

Preferred

Name

25038-60-2

Role

alias

Source

TCMBank

Preferred

Name

25086-18-4

Role

alias

Source

TCMBank

Preferred

Name

260975-79-9

Role

alias

Source

TCMBank

Preferred

Name

327719_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327727_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327743_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327751_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327778_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327786_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327794_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327808_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327816_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

327824_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

330345_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

330353_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

331651_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

359762-95-1

Role

alias

Source

TCMBank

Preferred

Name

360046-70-4

Role

alias

Source

TCMBank

Preferred

Name

37291-EP2311802A1

Role

alias

Source

TCMBank

Preferred

Name

37291-EP2311803A1

Role

alias

Source

TCMBank

Preferred

Name

373601-20-8

Role

alias

Source

TCMBank

Preferred

Name

379514_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

40257U_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

430102_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

441147_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

441772-62-9

Role

alias

Source

TCMBank

Preferred

Name

44LJ2U959V

Role

alias

Source

TCMBank

Preferred

Name

450383_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459356_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459364_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459372_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459380_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459399_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459402_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459410_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

459461_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

45993_RIEDEL

Role

alias

Source

TCMBank

Preferred

Name

461733_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

471865-10-8

Role

alias

Source

TCMBank

Preferred

Name

47745U_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

48347_SUPELCO

Role

alias

Source

TCMBank

Preferred

Name

487021-46-5

Role

alias

Source

TCMBank

Preferred

Name

51876_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

53395_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

53397_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

54578-24-4

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2269995A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2270101A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2270113A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2272832A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2272849A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2272935A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2275418A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2277945A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2280014A2

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2284165A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2287168A2

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2289883A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2289896A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2292593A2

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2295415A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2295420A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2295426A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2295427A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2295438A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2298313A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2298743A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2298753A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2301924A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2305668A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2305685A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2305686A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2308832A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2308857A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2308865A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2309584A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2311796A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2311797A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2311798A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2311799A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2311804A2

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2314577A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2314579A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2380568A1

Role

alias

Source

TCMBank

Preferred

Name

5487-EP2380867A1

Role

alias

Source

TCMBank

Preferred

Name

644984-36-1

Role

alias

Source

TCMBank

Preferred

Name

68441-35-0

Role

alias

Source

TCMBank

Preferred

Name

68987-41-7

Role

alias

Source

TCMBank

Preferred

Name

726192-11-6

Role

alias

Source

TCMBank

Preferred

Name

730985-59-8

Role

alias

Source

TCMBank

Preferred

Name

78354-47-9

Role

alias

Source

TCMBank

Preferred

Name

79637-11-9

Role

alias

Source

TCMBank

Preferred

Name

8053AF

Role

alias

Source

TCMBank

Preferred

Name

81401_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81402_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81403_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81404_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81406_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81407_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81408_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81409_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81410_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81411_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81412_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81413_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81414_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81415_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81416_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81417_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81418_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

81419_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

851588-70-0

Role

alias

Source

TCMBank

Preferred

Name

852837-17-3

Role

alias

Source

TCMBank

Preferred

Name

9003-53-6

Role

alias

Source

TCMBank

Preferred

Name

A800199

Role

alias

Source

TCMBank

Preferred

Name

AC1L1OWJ

Role

alias

Source

TCMBank

Preferred

Name

AC1Q2AAB

Role

alias

Source

TCMBank

Preferred

Name

AI3-24374

Role

alias

Source

TCMBank

Preferred

Name

AKOS000119972

Role

alias

Source

TCMBank

Preferred

Name

AN-24550

Role

alias

Source

TCMBank

Preferred

Name

ANW-14280

Role

alias

Source

TCMBank

Preferred

Name

Annamene

Role

alias

Source

TCMBank

Preferred

Name

BIDD:ER0247

Role

alias

Source

TCMBank

Preferred

Name

BP-13451

Role

alias

Source

TCMBank

Preferred

Name

Benzene, ethenyl-, homopolymer, hydrogenated

Role

alias

Source

TCMBank

Preferred

Name

Benzene, ethylenated

Role

alias

Source

TCMBank

Preferred

Name

Benzene, vinyl-

Role

alias

Source

TCMBank

Preferred

Name

Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-

Role

alias

Source

TCMBank

Preferred

Name

Benzene-d5, ethenyl-d3-

Role

alias

Source

TCMBank

Preferred

Name

Bulstren K-525-19

Role

alias

Source

TCMBank

Preferred

Name

C07083

Role

alias

Source

TCMBank

Preferred

Name

C19506

Role

alias

Source

TCMBank

Preferred

Name

CARINE

Role

alias

Source

TCMBank

Preferred

Name

CAS-100-42-5

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 564

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:27452

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL285235

Role

alias

Source

TCMBank

Preferred

Name

CJ-04646

Role

alias

Source

TCMBank

Preferred

Name

CTK0H6242

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 101

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 102

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 102,100/120 50G

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 103

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 103,80/100,50G

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 106

Role

alias

Source

TCMBank

Preferred

Name

Chromosorb 106, 60/80 MESH, 50GM

Role

alias

Source

TCMBank

Preferred

Name

Cinnamenol

Role

alias

Source

TCMBank

Preferred

Name

Cinnaminol

Role

alias

Source

TCMBank

Preferred

Name

Cinnamol

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_CID_1284

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_GSID_21284

Role

alias

Source

TCMBank

Preferred

Name

DSSTox_RID_76057

Role

alias

Source

TCMBank

Preferred

Name

DTXSID2021284

Role

alias

Source

TCMBank

Preferred

Name

Diarex hf 77

Role

alias

Source

TCMBank

Preferred

Name

Diarex hf 77 (Salt/Mix)

Role

alias

Source

TCMBank

Preferred

Name

EC 202-851-5

Role

alias

Source

TCMBank

Preferred

Name

EINECS 202-851-5

Role

alias

Source

TCMBank

Preferred

Name

EINECS 273-493-5

Role

alias

Source

TCMBank

Preferred

Name

Ethenylbenzene, 9CI

Role

alias

Source

TCMBank

Preferred

Name

Ethylbenzene alkylate

Role

alias

Source

TCMBank

Preferred

Name

Ethylenated benzene

Role

alias

Source

TCMBank

Preferred

Name

Ethylene, phenyl-

Role

alias

Source

TCMBank

Preferred

Name

F1908-0130

Role

alias

Source

TCMBank

Preferred

Name

FEMA No. 3233

Role

alias

Source

TCMBank

Preferred

Name

FEMA Number 3234

Role

alias

Source

TCMBank

Preferred

Name

FT-0659991

Role

alias

Source

TCMBank

Preferred

Name

FT-0689054

Role

alias

Source

TCMBank

Preferred

Name

HSDB 171

Role

alias

Source

TCMBank

Preferred

Name

I01-4405

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H

Role

alias

Source

TCMBank

Preferred

Name

KB-60631

Role

alias

Source

TCMBank

Preferred

Name

KS-00000VQV

Role

alias

Source

TCMBank

Preferred

Name

KSC176E4F

Role

alias

Source

TCMBank

Preferred

Name

LS-304

Role

alias

Source

TCMBank

Preferred

Name

MALDI validation set polystyrene Mp 500-70'000 certified according to DIN

Role

alias

Source

TCMBank

Preferred

Name

MCULE-4715354738

Role

alias

Source

TCMBank

Preferred

Name

MFCD00008612

Role

alias

Source

TCMBank

Preferred

Name

MFCD00084450

Role

alias

Source

TCMBank

Preferred

Name

MolPort-001-779-766

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091056-01

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091056-02

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091056-03

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091056-04

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091056-05

Role

alias

Source

TCMBank

Preferred

Name

NCGC00258362-01

Role

alias

Source

TCMBank

Preferred

Name

NCI-C02200

Role

alias

Source

TCMBank

Preferred

Name

NSC-62785

Role

alias

Source

TCMBank

Preferred

Name

POLYSTYRENE

Role

alias

Source

TCMBank

Preferred

Name

PPBRXRYQALVLMV-UHFFFAOYSA-N

Role

alias

Source

TCMBank

Preferred

Name

PhCH=CH2

Role

alias

Source

TCMBank

Preferred

Name

Phenethylene

Role

alias

Source

TCMBank

Preferred

Name

Phenylethylene, inhibited

Role

alias

Source

TCMBank

Preferred

Name

Polysorb

Role

alias

Source

TCMBank

Preferred

Name

Polystrene Standard 88'000

Role

alias

Source

TCMBank

Preferred

Name

Polystrene Standard broad 206'000

Role

alias

Source

TCMBank

Preferred

Name

Polystrene Standard broad 350'000

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene (100-200 mesh, PEG crosslinked)

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene high Mol. Wt.

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 1 micron, dry form

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene med Mol. Wt.

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene solution

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 1,300, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 123,000, Mw/Mn 1.08

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 13,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 170,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 2,000, Mw/Mn 1.10

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 2,200, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 25,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 290,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 3,350, Mw/Mn 1.10

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 30,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 4,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 400,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 5,200, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 50,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 65,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 650,000, Mw/Mn 1.06

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, M.W. 900,000, Mw/Mn 1.10

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene, atactic

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene, hydrogenated

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene, minimum number average molecular weight (in amu), 50,000

Role

alias

Source

TCMBank

Preferred

Name

Polystyrene,flame retarding and impact resistant

Role

alias

Source

TCMBank

Preferred

Name

RP18837

Role

alias

Source

TCMBank

Preferred

Name

RT-000109

Role

alias

Source

TCMBank

Preferred

Name

S0095

Role

alias

Source

TCMBank

Preferred

Name

S0651

Role

alias

Source

TCMBank

Preferred

Name

S4972_SIAL

Role

alias

Source

TCMBank

Preferred

Name

SC-75569

Role

alias

Source

TCMBank

Preferred

Name

STL283958

Role

alias

Source

TCMBank

Preferred

Name

STYRENE

Role

alias

Source

TCMBank

Preferred

Name

Stirolo

Role

alias

Source

TCMBank

Preferred

Name

Stirolo [Italian]

Role

alias

Source

TCMBank

Preferred

Name

Styreen

Role

alias

Source

TCMBank

Preferred

Name

Styreen [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

Styren

Role

alias

Source

TCMBank

Preferred

Name

Styren [Czech]

Role

alias

Source

TCMBank

Preferred

Name

Styrene 100 microg/mL in Methanol

Role

alias

Source

TCMBank

Preferred

Name

Styrene 5000 ng/microl in Methanol

Role

alias

Source

TCMBank

Preferred

Name

Styrene Resin (Med.M.Wt.)

Role

alias

Source

TCMBank

Preferred

Name

Styrene monomer

Role

alias

Source

TCMBank

Preferred

Name

Styrene monomer, inhibited

Role

alias

Source

TCMBank

Preferred

Name

Styrene monomer, inhibited [UN2055] [Flammable liquid]

Role

alias

Source

TCMBank

Preferred

Name

Styrene polymer-bound

Role

alias

Source

TCMBank

Preferred

Name

Styrene solution

Role

alias

Source

TCMBank

Preferred

Name

Styrene solution, certified reference material, 200 mug/mL in methanol

Role

alias

Source

TCMBank

Preferred

Name

Styrene, 99%, stabilized 100ml

Role

alias

Source

TCMBank

Preferred

Name

Styrene, 99.5% stab. with 4-tert-Butylcatechol

Role

alias

Source

TCMBank

Preferred

Name

Styrene, >=99%

Role

alias

Source

TCMBank

Preferred

Name

Styrene, ReagentPlus(R), 99.9%

Role

alias

Source

TCMBank

Preferred

Name

Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%

Role

alias

Source

TCMBank

Preferred

Name

Styrene, SAJ first grade, >=99.0%

Role

alias

Source

TCMBank

Preferred

Name

Styrene, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

Styrene-divinylbenzene Copolymer

Role

alias

Source

TCMBank

Preferred

Name

Styrol [German]

Role

alias

Source

TCMBank

Preferred

Name

Styrole

Role

alias

Source

TCMBank

Preferred

Name

Styron

Role

alias

Source

TCMBank

Preferred

Name

Styron (Salt/Mix)

Role

alias

Source

TCMBank

Preferred

Name

Styropol

Role

alias

Source

TCMBank

Preferred

Name

Styropol (Salt/Mix)

Role

alias

Source

TCMBank

Preferred

Name

Styropol SO

Role

alias

Source

TCMBank

Preferred

Name

Styropor

Role

alias

Source

TCMBank

Preferred

Name

Styropor (Salt/Mix)

Role

alias

Source

TCMBank

Preferred

Name

TRA0031624

Role

alias

Source

TCMBank

Preferred

Name

Tox21_113245

Role

alias

Source

TCMBank

Preferred

Name

Tox21_200808

Role

alias

Source

TCMBank

Preferred

Name

UN 2055 (Salt/Mix)

Role

alias

Source

TCMBank

Preferred

Name

UN2055

Role

alias

Source

TCMBank

Preferred

Name

UNII-44LJ2U959V

Role

alias

Source

TCMBank

Preferred

Name

Vinyl benzene

Role

alias

Source

TCMBank

Preferred

Name

Vinyl-polystyrene

Role

alias

Source

TCMBank

Preferred

Name

Vinylbenzen

Role

alias

Source

TCMBank

Preferred

Name

Vinylbenzen [Czech]

Role

alias

Source

TCMBank

Preferred

Name

Vinylbenzen [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

Vinylbenzene, inhibited

Role

alias

Source

TCMBank

Preferred

Name

W323306_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

W550159_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

WLN: 1U1R

Role

alias

Source

TCMBank

Preferred

Name

Z966690906

Role

alias

Source

TCMBank

Preferred

Name

ZB015538

Role

alias

Source

TCMBank

Preferred

Name

ZINC112958499

Role

alias

Source

TCMBank

Preferred

Name

ZINC968269

Role

alias

Source

TCMBank

Preferred

Name

c0115

Role

alias

Source

TCMBank

Preferred

Name

cinnamene

Role

alias

Source

TCMBank

Preferred

Name

p-vinyl benzene

Role

alias

Source

TCMBank

Preferred

Name

phenyl-ethylene

Role

alias

Source

TCMBank

Preferred

Name

viny lbenzol

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Styrene陈皮Pericarpium Citri Reticulatae(1-Methylethyl)benzene100-42-52-Phenylpropane98-82-8Benzene, (1-methylethyl)-Benzene, ethenyl-CUMENECinnameneCumeenCumolEthenylbenzeneIsopropilbenzeneIsopropylbenzeneIsopropylbenzolPhenylethenePhenylethyleneStyrolStyroleneVinylbenzene5.理气药(22-22)qi-regulating medicinal安息香AN XI XIANGBenzoin; Sumatra Snowbell1-methylethylbenzene(propan-2-yl)benzene105270-05-111120-46-0117079-77-3120037-99-212627-11-1144637-93-4168N15172641-48-4172867-64-02-Fenilpropano2-Fenilpropano [Italian]2-Fenyl-propaan2-Fenyl-propaan [Dutch]28220_FLUKA28230_FLUKA31N (styrene polymer)36698_RIEDEL39470-87-640494-15-3454H475U51609-83-751609-87-152932-49-753112-49-553986-84-854596-41-7550P (styrene polymer)55128-06-855465-00-456451-72-056748-62-057657-06-458033-91-360120-16-360328-46-360880-98-061584-89-261584-90-563849-49-0666U68333-89-168411-37-068553-94-6686E81834-12-0825TV86090-91-79044-64-89055-91-898444-30-5A 180 (vinyl polymer)A 3-80A 75 (vinyl polymer)AI3-04630Adion HAfcoleneAfcolene 492Afcolene 666Afcolene S 100Atactic polystyreneBASF IIIBDH 29-790BENZENE,ISOPROPYL CUMOLBP-KlpBSB-S 40BSB-S-EBactolatexBakelite SMD 3500Benzene, (1-methylethyl)-, oxidized, polyphenyl residuesBenzene, (1-methylethyl)-, oxidized, sulfurized by-productsBenzene, ethenyl-, homopolymerBenzene, isopropylBextrene XL 750Bicolastic A 75Bicolene HBio-Beads S-S 2BustrenBustren K 500Bustren K 525-19Bustren U 825Bustren U 825E11Bustren Y 3532Bustren Y 825C14396C87657_ALDRICHCHEBI:34656Cadco 0115Carinex GPCarinex HRCarinex HRMCarinex SB 59Carinex SB 61Carinex SL 273Carinex tgx/MFCopal ZCosden 550Cosden 945ECumeen [Dutch]Denka QP3Diarex 43GDiarex HF 55Diarex HF 55-247Diarex HS 77Diarex HT 190Diarex HT 500Diarex HT 88Diarex HT 88ADiarex HT 90Diarex YH 476DorvonDorvon FR 100Dow 1683Dow 360Dow 456Dow 665Dow 860Dow MX 5514Dow MX 5516Dylark 250DyleneDylene 8Dylene 8GDylene 9Dylite F 40Dylite F 40LEINECS 202-704-5EINECS 269-798-8EINECS 270-120-8Edistir RBEsbriteEsbrite 2Esbrite 4Esbrite 4-62Esbrite 500HMEsbrite 8Esbrite G 10Esbrite G-P 2Esbrite LBLEscorez 7404Estyrene 4-62Estyrene 500SHEstyrene G 15Estyrene G 20Estyrene G-P 4Estyrene H 61Ethenylbenzene homopolymerFC-MY 5450FG 834Foster grant 834GedexHF 10HF 55HF 77HH 102HHI 11HI-StyrolHSDB 172HT 88HT 88AHT 91-1HT-F 76Hostyren NHostyren N 4000Hostyren N 4000VHostyren N 7001Hostyren SIT 40InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2HIsopropilbenzene [Italian]Isopropyl-benzol [German]IsopropylbenzeenIsopropylbenzeen [Dutch]IsopropylbenzenIsopropylbenzene [UN1918] [Flammable liquid]K 525KB (Polymer)KM (Polymer)KR 2537Koplen 2Krasten 052Krasten 1.4Krasten SBLS 061ALS 1028ELacqren 506Lacqren 550LatexLustrexLustrex H 77Lustrex HH 101Lustrex HP 77Lustrex HT 88MX 4500MX 5514MX 5516MX 5517-02N 4000VNBS 706NCGC00091155-01NSC8776Owispol GFPelaspan 333Pelaspan Esp 109sPhenol bottomsPiccolasticPiccolastic APiccolastic A 25Piccolastic A 5Piccolastic A 50Piccolastic A 75Piccolastic C 125Piccolastic DPiccolastic D-100Polyphenyl residuePolystyrene resinPropane, 2-phenyl-R 3R 3612RCRA waste no. U055RCRA waste number U055S 173ST5214393Styrene polymerStyrofoamSulfurized by-product of cumene oxidationU625UN1918WLN: 1Y1 & RX 60000926_FLUKA00928_FLUKA00945_FLUKA00946_FLUKA00947_FLUKA00948_FLUKA00949_FLUKA00951_FLUKA00952_FLUKA00953_FLUKA00954_FLUKA03565_FLUKA1083095-63-9110866-50-71160710-79-11161074-30-1117294-EP2275408A1117294-EP2287158A1117294-EP2298762A21187742-34-21191987-17-31198090-46-8120534-26-11227265-55-5124229-31-8124229-48-71263545-74-912770-88-6131495-39-1137262-45-4143365-EP2287165A2143365-EP2287166A2143365-EP2292620A2149212-19-1155197-45-8157243-21-5157929-02-7161776-45-0171022-02-9171022-09-6182427_ALDRICH182435_ALDRICH189596_ALDRICH2-phenylethenyl20202_SUPELCO20215_SUPELCO20217_SUPELCO20225_SUPELCO219782-52-223065-05-625038-60-225086-18-4260975-79-9327719_ALDRICH327727_ALDRICH327743_ALDRICH327751_ALDRICH327778_ALDRICH327786_ALDRICH327794_ALDRICH327808_ALDRICH327816_ALDRICH327824_ALDRICH330345_ALDRICH330353_ALDRICH331651_ALDRICH359762-95-1360046-70-437291-EP2311802A137291-EP2311803A1373601-20-8379514_ALDRICH40257U_SUPELCO430102_ALDRICH441147_ALDRICH441772-62-944LJ2U959V450383_ALDRICH459356_ALDRICH459364_ALDRICH459372_ALDRICH459380_ALDRICH459399_ALDRICH459402_ALDRICH459410_ALDRICH459461_ALDRICH45993_RIEDEL461733_ALDRICH471865-10-847745U_SUPELCO48347_SUPELCO487021-46-551876_FLUKA53395_FLUKA53397_FLUKA54578-24-45487-EP2269995A15487-EP2270101A15487-EP2270113A15487-EP2272832A15487-EP2272849A15487-EP2272935A15487-EP2275418A15487-EP2277945A15487-EP2280014A25487-EP2284165A15487-EP2287168A25487-EP2289883A15487-EP2289896A15487-EP2292593A25487-EP2295415A15487-EP2295420A15487-EP2295426A15487-EP2295427A15487-EP2295438A15487-EP2298313A15487-EP2298743A15487-EP2298753A15487-EP2301924A15487-EP2305668A15487-EP2305685A15487-EP2305686A15487-EP2308832A15487-EP2308857A15487-EP2308865A15487-EP2309584A15487-EP2311796A15487-EP2311797A15487-EP2311798A15487-EP2311799A15487-EP2311804A25487-EP2314577A15487-EP2314579A15487-EP2380568A15487-EP2380867A1644984-36-168441-35-068987-41-7726192-11-6730985-59-878354-47-979637-11-98053AF81401_FLUKA81402_FLUKA81403_FLUKA81404_FLUKA81406_FLUKA81407_FLUKA81408_FLUKA81409_FLUKA81410_FLUKA81411_FLUKA81412_FLUKA81413_FLUKA81414_FLUKA81415_FLUKA81416_FLUKA81417_FLUKA81418_FLUKA81419_FLUKA851588-70-0852837-17-39003-53-6A800199AC1L1OWJAC1Q2AABAI3-24374AKOS000119972AN-24550ANW-14280AnnameneBIDD:ER0247BP-13451Benzene, ethenyl-, homopolymer, hydrogenatedBenzene, ethylenatedBenzene, vinyl-Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-Benzene-d5, ethenyl-d3-Bulstren K-525-19C07083C19506CARINECAS-100-42-5CCRIS 564CHEBI:27452CHEMBL285235CJ-04646CTK0H6242Chromosorb 101Chromosorb 102Chromosorb 102,100/120 50GChromosorb 103Chromosorb 103,80/100,50GChromosorb 106Chromosorb 106, 60/80 MESH, 50GMCinnamenolCinnaminolCinnamolDSSTox_CID_1284DSSTox_GSID_21284DSSTox_RID_76057DTXSID2021284Diarex hf 77Diarex hf 77 (Salt/Mix)EC 202-851-5EINECS 202-851-5EINECS 273-493-5Ethenylbenzene, 9CIEthylbenzene alkylateEthylenated benzeneEthylene, phenyl-F1908-0130FEMA No. 3233FEMA Number 3234FT-0659991FT-0689054HSDB 171I01-4405InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1HKB-60631KS-00000VQVKSC176E4FLS-304MALDI validation set polystyrene Mp 500-70'000 certified according to DINMCULE-4715354738MFCD00008612MFCD00084450MolPort-001-779-766NCGC00091056-01NCGC00091056-02NCGC00091056-03NCGC00091056-04NCGC00091056-05NCGC00258362-01NCI-C02200NSC-62785POLYSTYRENEPPBRXRYQALVLMV-UHFFFAOYSA-NPhCH=CH2PhenethylenePhenylethylene, inhibitedPolysorbPolystrene Standard 88'000Polystrene Standard broad 206'000Polystrene Standard broad 350'000Polystyrene (100-200 mesh, PEG crosslinked)Polystyrene high Mol. Wt.Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 1 micron, 10 wt% dispersion in waterPolystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 1 micron, dry formPolystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 2 micron, 10 wt% dispersion in waterPolystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in waterPolystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in waterPolystyrene med Mol. Wt.Polystyrene solutionPolystyrene standard, M.W. 1,300, Mw/Mn 1.06Polystyrene standard, M.W. 123,000, Mw/Mn 1.08Polystyrene standard, M.W. 13,000, Mw/Mn 1.06Polystyrene standard, M.W. 170,000, Mw/Mn 1.06Polystyrene standard, M.W. 2,000, Mw/Mn 1.10Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30Polystyrene standard, M.W. 2,200, Mw/Mn 1.06Polystyrene standard, M.W. 25,000, Mw/Mn 1.06Polystyrene standard, M.W. 290,000, Mw/Mn 1.06Polystyrene standard, M.W. 3,350, Mw/Mn 1.10Polystyrene standard, M.W. 30,000, Mw/Mn 1.06Polystyrene standard, M.W. 4,000, Mw/Mn 1.06Polystyrene standard, M.W. 400,000, Mw/Mn 1.06Polystyrene standard, M.W. 5,200, Mw/Mn 1.06Polystyrene standard, M.W. 50,000, Mw/Mn 1.06Polystyrene standard, M.W. 65,000, Mw/Mn 1.06Polystyrene standard, M.W. 650,000, Mw/Mn 1.06Polystyrene standard, M.W. 900,000, Mw/Mn 1.10Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1gPolystyrene, atacticPolystyrene, hydrogenatedPolystyrene, minimum number average molecular weight (in amu), 50,000Polystyrene,flame retarding and impact resistantRP18837RT-000109S0095S0651S4972_SIALSC-75569STL283958StiroloStirolo [Italian]StyreenStyreen [Dutch]StyrenStyren [Czech]Styrene 100 microg/mL in MethanolStyrene 5000 ng/microl in MethanolStyrene Resin (Med.M.Wt.)Styrene monomerStyrene monomer, inhibitedStyrene monomer, inhibited [UN2055] [Flammable liquid]Styrene polymer-boundStyrene solutionStyrene solution, certified reference material, 200 mug/mL in methanolStyrene, 99%, stabilized 100mlStyrene, 99.5% stab. with 4-tert-ButylcatecholStyrene, >=99%Styrene, ReagentPlus(R), 99.9%Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%Styrene, SAJ first grade, >=99.0%Styrene, analytical standardStyrene-divinylbenzene CopolymerStyrol [German]StyroleStyronStyron (Salt/Mix)StyropolStyropol (Salt/Mix)Styropol SOStyroporStyropor (Salt/Mix)TRA0031624Tox21_113245Tox21_200808UN 2055 (Salt/Mix)UN2055UNII-44LJ2U959VVinyl benzeneVinyl-polystyreneVinylbenzenVinylbenzen [Czech]Vinylbenzen [Dutch]Vinylbenzene, inhibitedW323306_ALDRICHW550159_ALDRICHWLN: 1U1RZ966690906ZB015538ZINC112958499ZINC968269c0115p-vinyl benzenephenyl-ethyleneviny lbenzol

Cross References

Trusted external identifiers retained for this final record.

Cas

100-42-551609-83-798-82-8

Hit

C0419

Herb

HBIN036337HBIN045028HBIN002806HBIN021901HBIN020656

Npass

NPC135924NPC149436

Tcmid

204143384039799

Tcmsp

MOL000704MOL007497

Sym Map

SMIT00070SMIT08917

Tcm Id

222567359148

Pub Chem

74067501

Tcmbank

TCMBANKIN027001TCMBANKIN057316TCMBANKIN059181TCMBANKIN058025

Etcm Ingredient

Styrene

Itcmdb Generated

ITX-INGREDIENT-DD589CF48088ITX-INGREDIENT-F6AEDFF3BC9FITX-INGREDIENT-FB18FD864D23

Attributes

Merged source attributes and domain-specific metadata.

2.15563

2.99104

Bic

0.6013

Cic

0.84436

Phi

1.4763

Sic

0.71854

Log D

2.381

Sc 0

Sc 1

Sc 2

Type

Other ingredients

Alog P

2.381

Chi 0

5.81999

Chi 1

3.93185

Chi 2

2.91228

In Ch I

InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3

Mol Wt

104.152120.195

Pmi X

12.6959

Cas Id

51609-83-798-82-8

Energy

12.73

Sc 3 C

Sc 3 P

Smiles

C([H])([H])=C([H])c1c([H])c([H])c([H])c([H])c1[H]

Zagreb

37 Flag

Chi 3 C

0.20412

Chi 3 P

2.30209

Chi V 0

4.6712

Chi V 1

2.6076

Chi V 2

1.6148

C Count

Kappa 1

6.125

Kappa 2

3.11111

Kappa 3

1.79999

Mol Log P

2.32962.810000000000001

N Count

O Count

P Count

Sc 3 Ch

S Count

Version

v1,v2

Alog P Mr

35.744

Chi 3 Ch

Dipole X

-1e-05

Dipole Y

-1e-05

Dipole Z

Iac Mean

In Ch Ikey

PPBRXRYQALVLMV-UHFFFAOYSA-NRWGFKTVRMDUZSP-UHFFFAOYSA-N

Is Chiral

Ob Score

29.54529.5454085746.925617946.926

Suppress

Tcm Name

陈皮

Admet Bbb

0.582

Chi V 3 C

0.09622

Chi V 3 P

1.03527

Es Sum D O

Es Sum T N

E Adj Equ

54.8575

E Adj Mag

75.0586

Hba Count

Hbd Count

Iac Total

Jurs Rasa

Jurs Rncg

0.20417

Jurs Rncs

12.3777

Jurs Rpcg

Jurs Rpcs

Jurs Rpsa

Jurs Sasa

255.776

Jurs Tasa

255.776

Jurs Tpsa

Num Atoms

Num Bonds

Num Rings

Shadow Xy

34.7405

Shadow Xz

22.9034

Shadow Yz

15.9672

Shadow Nu

2.48932

Tcm Name2

AN XI XIANG

V Adj Equ

51.9218

V Adj Mag

Mol2 Path

/TCM_database/5.理气药(22-22)/陈皮/structure/styrene.mol2

Reference

Chi V 3 Ch

Dipole Mag

Es Sum Aa N

Es Sum Aa O

Es Sum D Nh

Es Sum Dd C

Es Sum Ds N

Es Sum S Oh

Es Sum Ss O

Es Sum T Ch

Es Sum Ts C

Kappa 1 Am

5.10367

Kappa 2 Am

2.3141

Kappa 3 Am

1.2135

Num Hdonors

Num Chains

Num Rings3

Num Rings4

Num Rings5

Num Rings6

Num Rings7

Num Rings8

Es Count D O

Es Count T N

Es Sum Aa Ch

10.028

Es Sum Aa Nh

Es Sum Aaa C

Es Sum Aas C

1.173

Es Sum Aas N

Es Sum D Ch2

3.63

Es Sum Dds N

Es Sum Ds Ch

1.833

Es Sum Dss C

Es Sum S Ch3

Es Sum S Nh2

Es Sum S Nh3

Es Sum Ss Nh

Es Sum Sss N

Jurs Dpsa 1

-255.776

Jurs Dpsa 3

17.4878

Jurs Fnsa 1

Jurs Fnsa 2

-0.48211

Jurs Fnsa 3

-0.06838

Jurs Fpsa 1

Jurs Fpsa 2

Jurs Fpsa 3

Jurs Pnsa 1

255.776

Jurs Pnsa 2

-123.311

Jurs Pnsa 3

-17.4878

Jurs Ppsa 1

Jurs Ppsa 3

Jurs Wnsa 1

65.4215

Jurs Wnsa 2

-31.54

Jurs Wnsa 3

-4.47296

Jurs Wpsa 1

Jurs Wpsa 3

Num Pi Bonds

Tcm Name En

Pericarpium Citri Reticulatae

Level1 Name

5.理气药(22-22)

Admet Psa 2 D

Es Count Aa N

Es Count Aa O

Es Count D Nh

Es Count Dd C

Es Count Ds N

Es Count S Oh

Es Count Ss O

Es Count T Ch

Es Count Ts C

Es Sum Ss Ch2

Es Sum Ss Nh2

Es Sum Sss Ch

Es Sum Sss Nh

Es Sum Ssss C

Es Sum Ssss N

Nplus O Count

Num H Donors

Admet Alog P98

2.381

Admet Ext Ppb

1.58666

Drug Likeness

0.5130.534

Es Count Aa Ch

Es Count Aa Nh

Es Count Aaa C

Es Count Aas C

Es Count Aas N

Es Count D Ch2

Es Count Dds N

Es Count Ds Ch

Es Count Dss C

Es Count S Ch3

Es Count S Nh2

Es Count S Nh3

Es Count Ss Nh

Es Count Sss N

Es Sum Sssss P

Num Hacceptors

Num Fragments

Num Hydrogens

Num Ring Bonds

Organic Count

Rad Of Gyration

1.40285

Shadow Xyfrac

0.67666

Shadow Xzfrac

0.79586

Shadow Yzfrac

0.77419

Strain Energy

13.48

Es Count Ss Ch2

Es Count Ss Nh2

Es Count Sss Ch

Es Count Sss Nh

Es Count Ssss C

Es Count Ssss N

Molecular Mass

104.063

Molecular Sasa

284.498

Num Metal Atoms

Num Rings9 Plus

Shadow Xlength

8.4639

Shadow Ylength

6.06581

Shadow Zlength

3.40008

Level1 Name En

qi-regulating medicinal

Admet Bbb Level

Isomeric Smiles

C=CC1=CC=CC=C1CC(C)C1=CC=CC=C1

Molecular Savol

251.519

Molecule Weight

104.16120.21

Num Atom Classes

Num Bridge Bonds

Num H Acceptors

Num Repeat Units

Admet Ext Cyp2 D6

-2.46699

Admet Solubility

-2.624

Canonical Smiles

C=CC1=CC=CC=C1CC(C)C1=CC=CC=C1

Herb Alias Names

CUMENEIsopropylbenzene98-82-82-Phenylpropane(1-Methylethyl)benzeneCumolBenzene, (1-methylethyl)-IsopropylbenzolCumeenIsopropilbenzene

Minimized Energy

-0.75

Molecular Weight

104.060

Molecular Volume

87.12

Molecular Weight

104.149

Molecule Formula

C8H8

Num Macro Chains

Molecular Formula

C8H8

Molecular Formula

C8H8

Molecular Formula

C8H8C9H12

Num Rotatable Bonds

Num Aromatic Bonds

Num Aromatic Rings

Num Explicit Atoms

Num Explicit Bonds

Num Negative Atoms

Num Positive Atoms

Num Macro Residues

Num Ring Assemblies

Num Rotatable Bonds

Molecular Polar Sasa

Num Bridge Head Atoms

Num Chain Assemblies

Num Meso Stereo Atoms

Molecular Solubility

-2.198

Admet Ext Hepatotoxic

-6.23828

Admet Unknown Alog P98

Molecular Surface Area

124.14

Num Explicit Hydrogens

Num H Donors Lipinski

Num Pseudo Stereo Atoms

Admet Absorption Level

Admet Solubility Level

Admet Ext Ppb#Prediction

Num H Acceptors Lipinski

Molecular Polar Surface Area

Admet Ext Cyp2 D6#Prediction

Molecular Fractional Polar Sasa

Admet Ext Ppb Applicability#Md

11.0631

Fda Maximum Daily Dose (Fdamdd)

0.043

Admet Ext Hepatotoxic#Prediction

Admet Ext Cyp2 D6 Applicability#Md

12.7071

Admet Ext Ppb Applicability#Mdpvalue

0.45398

Molecular Fractional Polar Surface Area

Admet Ext Hepatotoxic Applicability#Md

7.98413

Admet Ext Cyp2 D6 Applicability#Mdpvalue

0.000605

Admet Ext Hepatotoxic Applicability#Mdpvalue

0.890321

Quantitative Estimate Of Drug Likeness（Qed）

0.513