01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Trans-1,2-diacetylethylene
- Molecular Formula
- C6H8O2
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)C=CC(=O)C
- Isomeric SMILES
- CC(=O)/C=C/C(=O)C
- InChI
- InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+
- Oral Bioavailability
- 17.737
- Drug Likeness
- 0.493
- 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.