01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2,3,4-trimethylhexane
- Molecular Formula
- C9H20
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)C(C)C(C)C
- Isomeric SMILES
- CCC(C)C(C)C(C)C
- InChI
- InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3
- Oral Bioavailability
- 38.905
- Drug Likeness
- 0.547
- 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.