01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Typhic acid
- Molecular Formula
- C19H20O7
- Molecular Weight
- No data
- Canonical SMILES
- CCC(C)OC(=O)C1=CC(CC2=C1C=CC=C2C(=CC(=O)O)O)C(=O)O
- Isomeric SMILES
- CCC(C)OC(=O)C1=CC(CC2=C1C=CC=C2/C(=C/C(=O)O)/O)C(=O)O
- InChI
- InChI=1S/C19H20O7/c1-3-10(2)26-19(25)15-8-11(18(23)24)7-14-12(15)5-4-6-13(14)16(20)9-17(21)22/h4-6,8-11,20H,3,7H2,1-2H3,(H,21,22)(H,23,24)/b16-9-
- Oral Bioavailability
- 16.163
- Drug Likeness
- 0.405
- 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.