01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Gentianal
- Molecular Formula
- C10H11NO3
- Molecular Weight
- No data
- Canonical SMILES
- CC1C2=CNC(=O)C(=C2CCO1)C=O
- Isomeric SMILES
- CC1C2=CNC(=O)C(=C2CCO1)C=O
- InChI
- InChI=1S/C10H11NO3/c1-6-8-4-11-10(13)9(5-12)7(8)2-3-14-6/h4-6H,2-3H2,1H3,(H,11,13)
- Oral Bioavailability
- 73.343
- Drug Likeness
- 0.672
- 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.