01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 21
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (e)-oct-2-en-4-one
- Molecular Formula
- C8H14O
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC(=O)C=CC
- Isomeric SMILES
- CCCCC(=O)/C=C/C
- InChI
- InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4+
- Oral Bioavailability
- 64.616
- Drug Likeness
- 0.528
- 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.