01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Mesaconate
- Molecular Formula
- C5H6O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CC(=O)O)C(=O)O
- Isomeric SMILES
- C/C(=C\C(=O)O)/C(=O)O
- InChI
- InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
- Oral Bioavailability
- 69.770
- Drug Likeness
- 0.520
- 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.