01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r)-3-oxo-2-phenylbutanenitrile
- Molecular Formula
- C10H9NO
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)C(C#N)C1=CC=CC=C1
- Isomeric SMILES
- CC(=O)[C@@H](C#N)C1=CC=CC=C1
- InChI
- InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m1/s1
- Oral Bioavailability
- 43.033
- Drug Likeness
- 0.661
- 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 ingredient1 Herbs