Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30289
- Core Entity Id
- 36852
- Source Entity Count
- 1
- Preferred Name
- P-nitrophenol
- Name En
- Pubchem Id
- 980
- Smiles Canonical
- C1=CC(=CC=C1[N+](=O)[O-])O
- Molecular Formula
- C6H5NO3
- Molecular Weight
- 139.1100
- Inchikey
- BTJIUGUIPKRLHP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
- Isomeric Smiles
- C1=CC(=CC=C1[N+](=O)[O-])O
- Cas Id
- Ob Score
- Mol Logp
- 1.3004
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P- Nitrophenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
P- Nitrophenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
P-nitrophenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
P-nitrophenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
p- nitrophenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
100-02-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
100-02-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxynitrobenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxynitrobenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Nitrophenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Nitrophenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Niphen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Niphen
Role
alias
Source
HERB_v2
Preferred
No
Name
Paranitrophenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4-nitro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-nitro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, p-nitro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, p-nitro-
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Hydroxynitrobenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Hydroxynitrobenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
para-nitrophenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
P- Nitrophenol100-02-74-Hydroxynitrobenzene4-NitrophenolNiphenParanitrophenolPhenol, 4-nitro-Phenol, p-nitro-p-Hydroxynitrobenzenepara-nitrophenol
Cross References
Trusted external identifiers retained for this final record.
Hit
C0318
Herb
HBIN040344
Npass
NPC44836
Tcmid
33778
Sym Map
SMIT25923
Pub Chem
980
Tcmbank
TCMBANKIN008577
Itcmdb Generated
ITX-INGREDIENT-C9A9C19DCA11
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
Mol Wt
139.11
Smiles
C1=CC(=CC=C1[N+](=O)[O-])O
Mol Log P
1.3004
Version
v2
In Ch Ikey
BTJIUGUIPKRLHP-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.471
Num Hacceptors
3
Isomeric Smiles
C1=CC(=CC=C1[N+](=O)[O-])O
Canonical Smiles
C1=CC(=CC=C1[N+](=O)[O-])O
Herb Alias Names
4-Nitrophenol100-02-7Phenol, 4-nitro-ParanitrophenolNiphen4-Hydroxynitrobenzenep-Hydroxynitrobenzenepara-nitrophenolPhenol, p-nitro-
Molecular Weight
139.11 g/mol
Molecular Formula
C6H5NO3
Molecular Formula
C6H5NO3
Num Rotatable Bonds
1