01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Wln: nc1r
- Molecular Formula
- C8H7N
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C(C=C1)CC#N
- Isomeric SMILES
- C1=CC=C(C=C1)CC#N
- InChI
- InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
- Oral Bioavailability
- 47.220
- Drug Likeness
- 0.549
- 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.
Source Herbs
herb ingredient6 Herbs