01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3r)-3-phenylbutanal
- Molecular Formula
- C10H12O
- Molecular Weight
- No data
- Canonical SMILES
- CC(CC=O)C1=CC=CC=C1
- Isomeric SMILES
- C[C@H](CC=O)C1=CC=CC=C1
- InChI
- InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/t9-/m1/s1
- Oral Bioavailability
- 44.646
- Drug Likeness
- 0.601
- 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