01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Trans-aconitic acid
- Molecular Formula
- C6H6O6
- Molecular Weight
- No data
- Canonical SMILES
- C(C(=CC(=O)O)C(=O)O)C(=O)O
- Isomeric SMILES
- C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
- InChI
- InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.498
- 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.