01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (e)-oct-3-en-2-one
- Molecular Formula
- C8H14O
- Molecular Weight
- No data
- Canonical SMILES
- CCCCC=CC(=O)C
- Isomeric SMILES
- CCCC/C=C/C(=O)C
- InChI
- InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
- Oral Bioavailability
- 30.501
- Drug Likeness
- 0.417
- 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.