01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-octynal
- Molecular Formula
- C8H12O
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCC#CC=O
- Isomeric SMILES
- CCCCCC#CC=O
- InChI
- InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h8H,2-5H2,1H3
- Oral Bioavailability
- 39.636
- Drug Likeness
- 0.318
- 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.
Source Herbs
herb ingredient2 Herbs