01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 2-phenylbutenal
- Molecular Formula
- C10H10O
- Molecular Weight
- No data
- Canonical SMILES
- CC=C(C=O)C1=CC=CC=C1
- Isomeric SMILES
- C/C=C(/C=O)\C1=CC=CC=C1
- InChI
- InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2-
- Oral Bioavailability
- 38.653
- Drug Likeness
- 0.462
- 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