Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Trial: 6Herb: 12Ingredient: 1Meta-analysis: 3Reference: 1Target: 13Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14768
- Core Entity Id
- 19579
- Source Entity Count
- 1
- Preferred Name
- Citric acid
- Name En
- Pubchem Id
- 311
- Smiles Canonical
- C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- Molecular Formula
- C6H8O7
- Molecular Weight
- 192.1230
- Inchikey
- KRKNYBCHXYNGOX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- Isomeric Smiles
- C(C(=O)O)C(CC(=O)O)(C(=O)O)O
- Cas Id
- 77-92-9
- Ob Score
- 56.2199
- Mol Logp
- -1.2485
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4270
- Polar Surface Area
- 132.1300
- Molecular Volume
- 138.2200
- Alogp
- -1.3190
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Citric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Citric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Citric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
citric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
citric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
.beta.-Hydroxytricarballylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID)
Role
alias
Source
TCMBank
Preferred
No
Name
1,2,3-Propanetricarboxylic acid, 2-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
12262-73-6
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxypropanetricarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxytricarballylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxy-1,2,3-propanetricarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
240621_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
245654-34-6
Role
alias
Source
TCMBank
Preferred
No
Name
251275_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
27109_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
27485_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
27487_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
27488_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
3-Carboxy-3-hydroxypentane-1,5-dioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
38730_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
4-03-00-01272 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
43136-35-2
Role
alias
Source
TCMBank
Preferred
No
Name
46933_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
77-92-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
77-92-9
Role
alias
Source
HERB_v2
Preferred
No
Name
77-92-9
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-06286
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-017733
Role
alias
Source
TCMBank
Preferred
No
Name
Aciletten
Role
alias
Source
HERB_v2
Preferred
No
Name
Aciletten
Role
alias
Source
TCMBank
Preferred
No
Name
Aciletten
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anhydrous citric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anhydrous citric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Anhydrous citric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Anhydrous citric acid (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0782061
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003240
Role
alias
Source
TCMBank
Preferred
No
Name
C00158
Role
alias
Source
TCMBank
Preferred
No
Name
C2404_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
C4540_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
C83155_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3292
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30769
Role
alias
Source
TCMBank
Preferred
No
Name
CIT
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 221C
Role
alias
Source
TCMBank
Preferred
No
Name
Chemfill
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chemfill
Role
alias
Source
HERB_v2
Preferred
No
Name
Chemfill
Role
alias
Source
TCMBank
Preferred
No
Name
Citrate standard for IC
Role
alias
Source
TCMBank
Preferred
No
Name
Citretten
Role
alias
Source
HERB_v2
Preferred
No
Name
Citretten
Role
alias
Source
itcmdb_public
Preferred
No
Name
Citretten
Role
alias
Source
TCMBank
Preferred
No
Name
Citric acid (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Citric acid [USAN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Citric acid anhydrous (JAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Citric acid solution
Role
alias
Source
TCMBank
Preferred
No
Name
Citric acid, anhydrous
Role
alias
Source
itcmdb_public
Preferred
No
Name
Citric acid, anhydrous
Role
alias
Source
TCMBank
Preferred
No
Name
Citric acid, anhydrous
Role
alias
Source
HERB_v2
Preferred
No
Name
Citric acid, anhydrous (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Citro
Role
alias
Source
itcmdb_public
Preferred
No
Name
Citro
Role
alias
Source
TCMBank
Preferred
No
Name
Citro
Role
alias
Source
HERB_v2
Preferred
No
Name
D00037
Role
alias
Source
TCMBank
Preferred
No
Name
E 330
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 201-069-1
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 021801
Role
alias
Source
TCMBank
Preferred
No
Name
F 0001 (polycarboxylic acid)
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 2306
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2306
Role
alias
Source
TCMBank
Preferred
No
Name
FLC
Role
alias
Source
TCMBank
Preferred
No
Name
H3cit
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 911
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrocerol A
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002740
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina citronova
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina citronova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
LS-2418
Role
alias
Source
TCMBank
Preferred
No
Name
LS-3185
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001066346
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090954-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00090954-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_022579
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_004062
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_004502
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc1_000057
Role
alias
Source
TCMBank
Preferred
No
Name
NCIStruc2_000099
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 626579
Role
alias
Source
TCMBank
Preferred
No
Name
NSC30279
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_502996
Role
alias
Source
TCMBank
Preferred
No
Name
SBB008922
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000471840
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001850
Role
alias
Source
TCMBank
Preferred
No
Name
Suby G
Role
alias
Source
TCMBank
Preferred
No
Name
Uro-trainer
Role
alias
Source
TCMBank
Preferred
No
Name
W230618_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QV1XQVQ1VQ
Role
alias
Source
TCMBank
Preferred
No
Name
citr
Role
alias
Source
TCMBank
Preferred
No
Name
乌梅; 木贼麻黄; 天麻; 人参; 醋柳果; 山楂; 百部; 宽叶香蒲; 野山楂; 虎杖叶; 云南山楂; 山里红; 异株荨麻; 枸橼
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU MEI; MU ZEI MA HUANG; TIAN MA; REN SHEN; CU LIU GUO; SHAN ZHA; BAI BU; KUAN YE XIANG PU; YE SHAN ZHA; HU ZHANG YE; YUN NAN SHAN ZHA; SHAN LI HONG; YI ZHU QIAN MA; JU YUAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Apricot; Mongolian Ephedra; Tall Gastrodia; Ginseng; Seabuckthorn Fruit; Chinese Hawthorn; Tuber Stemona; Broadleaf Cattail Pollen; Nippon Hawthorn; Japanese Fleeceflower Leaf; Yunnan Hawthorn; Red Fruit; Dioecious Nettle; Medicinal Citron
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.beta.-Hydroxytricarballylic acid1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID)1,2,3-Propanetricarboxylic acid, 2-hydroxy-1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI)12262-73-62-Hydroxypropanetricarboxylic acid2-Hydroxytricarballylic acid2-hydroxy-1,2,3-propanetricarboxylic acid2-hydroxypropane-1,2,3-tricarboxylic acid240621_ALDRICH245654-34-6251275_SIAL27109_RIEDEL27485_FLUKA27487_FLUKA27488_FLUKA3-Carboxy-3-hydroxypentane-1,5-dioic acid38730_FLUKA4-03-00-01272 (Beilstein Handbook Reference)43136-35-246933_SUPELCO77-92-9AI3-06286AIDS-017733AcilettenAnhydrous citric acidAnhydrous citric acid (JP15)BRN 0782061BSPBio_003240C00158C2404_SIGMAC4540_SIGMAC83155_SIALCCRIS 3292CHEBI:30769CITCaswell No. 221CChemfillCitrate standard for ICCitrettenCitric acid (8CI)Citric acid [USAN:JAN]Citric acid anhydrous (JAN)Citric acid solutionCitric acid, anhydrousCitric acid, anhydrous (USP)CitroD00037E 330EINECS 201-069-1EPA Pesticide Chemical Code 021801F 0001 (polycarboxylic acid)FEMA No. 2306FEMA Number 2306FLCH3citHSDB 911Hydrocerol AInChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12KBio3_002740Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]Kyselina citronovaKyselina citronova [Czech]LS-2418LS-3185MLS001066346NCGC00090954-01NCGC00090954-02NCI60_022579NCIOpen2_004062NCIOpen2_004502NCIStruc1_000057NCIStruc2_000099NSC 626579NSC30279Oprea1_502996SBB008922SMR000471840Spectrum3_001850Suby GUro-trainerW230618_ALDRICHWLN: QV1XQVQ1VQcitr乌梅; 木贼麻黄; 天麻; 人参; 醋柳果; 山楂; 百部; 宽叶香蒲; 野山楂; 虎杖叶; 云南山楂; 山里红; 异株荨麻; 枸橼WU MEI; MU ZEI MA HUANG; TIAN MA; REN SHEN; CU LIU GUO; SHAN ZHA; BAI BU; KUAN YE XIANG PU; YE SHAN ZHA; HU ZHANG YE; YUN NAN SHAN ZHA; SHAN LI HONG; YI ZHU QIAN MA; JU YUANJapanese Apricot; Mongolian Ephedra; Tall Gastrodia; Ginseng; Seabuckthorn Fruit; Chinese Hawthorn; Tuber Stemona; Broadleaf Cattail Pollen; Nippon Hawthorn; Japanese Fleeceflower Leaf; Yunnan Hawthorn; Red Fruit; Dioecious Nettle; Medicinal Citron
Cross References
Trusted external identifiers retained for this final record.
Cas
77-92-9
Hit
C1246
Herb
HBIN020984
Tcmid
232243766
Tcmsp
MOL001456
Sym Map
SMIT00105SMIT02661
Tcm Id
5608
Pub Chem
311
Tcmbank
TCMBANKIN033702TCMBANKIN054144
Etcm Ingredient
citric acid
Itcmdb Generated
ITX-INGREDIENT-5FBEDCF76CECITX-INGREDIENT-036BA3D5ADBA
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.4116
Jx
4.32519
Jy
4.71522
Bic
0.61726
Cic
1.28883
Phi
3.8196
Sic
0.6517
Log D
-5.155
Sc 0
13
Sc 1
12
Sc 2
17
Alog P
-1.319
Chi 0
10.6463
Chi 1
5.77638
Chi 2
6.00467
In Ch I
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Mol Wt
192.123
Pmi X
71.7771
Cas Id
77-92-9
Energy
7.17
Sc 3 C
7
Sc 3 P
16
Smiles
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Zagreb
58
Chi 3 C
1.90775
Chi 3 P
3.14296
Chi V 0
6.42781
Chi V 1
3.17101
Chi V 2
2.47776
Kappa 1
13
Kappa 2
5.02422
Kappa 3
4.6875
Mol Log P
-1.2485
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
35.623
Chi 3 Ch
0
Dipole X
-0.62187
Dipole Y
-1.71965
Dipole Z
1.93747
Iac Mean
1.57511
In Ch Ikey
KRKNYBCHXYNGOX-UHFFFAOYSA-N
Is Chiral
0
Ob Score
56.21989156.219891156.22
Suppress
1
Tcm Name
乌梅; 木贼麻黄; 天麻; 人参; 醋柳果; 山楂; 百部; 宽叶香蒲; 野山楂; 虎杖叶; 云南山楂; 山里红; 异株荨麻; 枸橼
Chi V 3 C
0.56966
Chi V 3 P
1.28543
Es Sum D O
30.484
Es Sum T N
0
E Adj Equ
113.546
E Adj Mag
172.974
Hba Count
3
Hbd Count
0
Iac Total
33.0774
Jurs Rasa
0.1134
Jurs Rncg
0.1745
Jurs Rncs
4.18832
Jurs Rpcg
0.25836
Jurs Rpcs
1.24802
Jurs Rpsa
0.88659
Jurs Sasa
327.995
Jurs Tasa
37.195
Jurs Tpsa
290.8
Num Atoms
13
Num Bonds
12
Num Rings
0
Shadow Xy
44.9722
Shadow Xz
35.5229
Shadow Yz
27.5146
Shadow Nu
1.79524
Tcm Name2
WU MEI; MU ZEI MA HUANG; TIAN MA; REN SHEN; CU LIU GUO; SHAN ZHA; BAI BU; KUAN YE XIANG PU; YE SHAN ZHA; HU ZHANG YE; YUN NAN SHAN ZHA; SHAN LI HONG; YI ZHU QIAN MA; JU YUAN
V Adj Equ
99.6227
V Adj Mag
110.039
Mol2 Path
/TCM_database/2003_3d_all/1480.mol2
Reference
2, 658, 660, 5508
Chi V 3 Ch
0
Dipole Mag
2.66414
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
33.81
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
11.85
Kappa 2 Am
4.19028
Kappa 3 Am
3.85357
Num Hdonors
4
Num Chains
6
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
3
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-5.019
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-219.308
Jurs Dpsa 3
92.085
Jurs Fnsa 1
0.83431
Jurs Fnsa 2
-1.8086
Jurs Fnsa 3
-0.2584
Jurs Fpsa 1
0.16568
Jurs Fpsa 2
0.18693
Jurs Fpsa 3
0.02235
Jurs Pnsa 1
273.651
Jurs Pnsa 2
-593.21
Jurs Pnsa 3
-84.7528
Jurs Ppsa 1
54.3434
Jurs Ppsa 3
7.33219
Jurs Wnsa 1
89.7562
Jurs Wnsa 2
-194.57
Jurs Wnsa 3
-27.7985
Jurs Wpsa 1
17.8243
Jurs Wpsa 3
2.40492
Num Pi Bonds
0
Tcm Name En
Japanese Apricot; Mongolian Ephedra; Tall Gastrodia; Ginseng; Seabuckthorn Fruit; Chinese Hawthorn; Tuber Stemona; Broadleaf Cattail Pollen; Nippon Hawthorn; Japanese Fleeceflower Leaf; Yunnan Hawthorn; Red Fruit; Dioecious Nettle; Medicinal Citron
Admet Psa 2 D
135.164
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
4
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-2.289
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
-2.739
Es Sum Ssss N
0
Nplus O Count
7
Num H Donors
4
Admet Alog P98
-1.319
Admet Ext Ppb
-7.72966
Drug Likeness
0.427
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
3
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
4
Num Fragments
1
Num Hydrogens
8
Num Ring Bonds
0
Organic Count
13
Rad Of Gyration
2.05885
Shadow Xyfrac
0.60177
Shadow Xzfrac
0.68934
Shadow Yzfrac
0.66096
Strain Energy
6.65
Es Count Ss Ch2
2
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
1
Es Count Ssss N
0
Molecular Mass
192.027
Molecular Sasa
326.973
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
9.6183
Shadow Ylength
7.76976
Shadow Zlength
5.35765
Admet Bbb Level
4
Isomeric Smiles
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Molecular Savol
290.46
Molecule Weight
192.14
Num Atom Classes
9
Num Bridge Bonds
0
Num H Acceptors
7
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.73106
Admet Solubility
0.981
Canonical Smiles
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Herb Alias Names
77-92-9Citric acid, anhydrous2-hydroxypropane-1,2,3-tricarboxylic acidAnhydrous citric acidAcilettenCitroCitrettenChemfillCitric acid anhydrous
Minimized Energy
0.52
Molecular Weight
192.030
Molecular Volume
138.22
Molecular Weight
192.12
Molecule Formula
C6H8O7
Num Macro Chains
0
Molecular Formula
C6H8O7
Molecular Formula
C6H8O7
Molecular Formula
C6H8O7
Num Rotatable Bonds
5
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
13
Num Explicit Bonds
12
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
105.0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
5
Molecular Polar Sasa
239.175
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-0.389
Admet Ext Hepatotoxic
-6.01894
Admet Unknown Alog P98
0
Molecular Surface Area
193.34
Num Explicit Hydrogens
0
Num H Donors Lipinski
4
Num Pseudo Stereo Atoms
0
Admet Absorption Level
2
Admet Solubility Level
5
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
7
Molecular Polar Surface Area
132.13
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.731
Admet Ext Ppb Applicability#Md
11.2326
Fda Maximum Daily Dose (Fdamdd)
0.008
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
13.4641
Admet Ext Ppb Applicability#Mdpvalue
0.368439
Molecular Fractional Polar Surface Area
0.683
Admet Ext Hepatotoxic Applicability#Md
6.70438
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.0001
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.998872
Quantitative Estimate Of Drug Likeness（Qed）
0.427