01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s)-3-methylhexane
- Molecular Formula
- C7H16
- Molecular Weight
- No data
- Canonical SMILES
- CCCC(C)CC
- Isomeric SMILES
- CCC[C@@H](C)CC
- InChI
- InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
- Oral Bioavailability
- 50.652
- Drug Likeness
- 0.511
- 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.