Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
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