01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 6-methylheptan-2-one
- Molecular Formula
- C8H16O
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)CCCC(=O)C
- Isomeric SMILES
- CC(C)CCCC(=O)C
- InChI
- InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
- Oral Bioavailability
- 39.988
- Drug Likeness
- 0.568
- 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.