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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

2-valerylbenzoic acid

C12H14O3

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
12

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
2-valerylbenzoic acid
Molecular Formula
C12H14O3
Molecular Weight
No data
Canonical SMILES
CCCCC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES
CCCCC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C12H14O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
Oral Bioavailability
78.260
Drug Likeness
0.753
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

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Direct relations and traceable candidates grouped by relation type.

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