01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Beta-carboline-1-propionic acid
- Molecular Formula
- C14H12N2O2
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
- Isomeric SMILES
- C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
- InChI
- InChI=1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
- Oral Bioavailability
- No data
- Drug Likeness
- 0.739
- 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.