01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1,2-dibenzoylethane
- Molecular Formula
- C16H14O2
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2
- Isomeric SMILES
- C1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=CC=C2
- InChI
- InChI=1S/C16H14O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2
- Oral Bioavailability
- 57.971
- Drug Likeness
- 0.747
- 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