IngredientID 21481

Hgo

C16H11ClHgN2O

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
21481
Core Entity Id
27062
Source Entity Count
1
Preferred Name
Hgo
Name En
Pubchem Id
18318
Smiles Canonical
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[Hg]Cl)O
Molecular Formula
C16H11ClHgN2O
Molecular Weight
483.3200
Inchikey
CDEIGFNQWMSEKG-UHFFFAOYSA-M
Inchi
InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1
Isomeric Smiles
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[Hg]Cl)O
Cas Id
Ob Score
Mol Logp
4.8224
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
3
Drug Likeness
0.4220
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Hgo
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Hgo
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hgo
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hgo
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
hgo
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(4-Chloromercuriophenylazo)-2-naphthol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(4-Chloromercuriophenylazo)-2-naphthol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3076-91-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
3076-91-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]mercury
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]mercury
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID301183052
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID301183052
Role
alias
Source
HERB_v2
Preferred
No
Name
Mercury Orange, >=97.0% (Hg, AAS)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mercury Orange, >=97.0% (Hg, AAS)
Role
alias
Source
HERB_v2
Preferred
No
Name
Mercury Orange, powder
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mercury Orange, powder
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC105538
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC105538
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6037725
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6037725
Role
alias
Source
HERB_v2
Preferred
No
Name
WLN: L66J BNUNR D-HG-G& CQ
Role
alias
Source
HERB_v2
Preferred
No
Name
WLN: L66J BNUNR D-HG-G& CQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury
Role
alias
Source
HERB_v2
Preferred
No
Name
chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

1-(4-Chloromercuriophenylazo)-2-naphthol3076-91-3Chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]mercuryDTXSID301183052Mercury Orange, >=97.0% (Hg, AAS)Mercury Orange, powderNSC105538SCHEMBL6037725WLN: L66J BNUNR D-HG-G& CQchloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN029366
Tcmid
23400
Sym Map
SMIT24426
Tcm Id
3726
Pub Chem
18318
Tcmbank
TCMBANKIN028681
Itcmdb Generated
ITX-INGREDIENT-D964FE107695

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1
Mol Wt
483.32
Smiles
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[Hg]Cl)O
Mol Log P
4.822400000000004
Version
v2
In Ch Ikey
CDEIGFNQWMSEKG-UHFFFAOYSA-M
Suppress
0
Num Hdonors
1
Drug Likeness
0.422
Num Hacceptors
3
Isomeric Smiles
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[Hg]Cl)O
Canonical Smiles
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[Hg]Cl)O
Herb Alias Names
3076-91-3Chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]mercurychloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury1-(4-Chloromercuriophenylazo)-2-naphtholMercury Orange, powderSCHEMBL6037725DTXSID301183052NSC105538WLN: L66J BNUNR D-HG-G& CQMercury Orange, >=97.0% (Hg, AAS)
Molecular Weight
483.3 g/mol
Molecular Formula
C16H11ClHgN2O
Molecular Formula
C16H11ClHgN2O
Num Rotatable Bonds
3