01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Heptan
- Molecular Formula
- C7H16
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCCC
- Isomeric SMILES
- CCCCCCC
- InChI
- InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
- Oral Bioavailability
- 41.799
- Drug Likeness
- 0.476
- 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.