01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 27
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Hexanoic acid
- Molecular Formula
- C6H12O2
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCC(=O)O
- Isomeric SMILES
- CCCCCC(=O)O
- InChI
- InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
- Oral Bioavailability
- 73.075
- Drug Likeness
- 0.567
- 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
Related Entities
Direct relations and traceable candidates grouped by relation type.