01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Uregit
- Molecular Formula
- C13H12Cl2O4
- Molecular Weight
- No data
- Canonical SMILES
- CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
- Isomeric SMILES
- CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
- InChI
- InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
- Oral Bioavailability
- 7.945
- Drug Likeness
- 0.644
- 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