01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1-isochromanone
- Molecular Formula
- C9H8O2
- Molecular Weight
- No data
- Canonical SMILES
- C1COC(=O)C2=CC=CC=C21
- Isomeric SMILES
- C1COC(=O)C2=CC=CC=C21
- InChI
- InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2
- Oral Bioavailability
- 48.209
- 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.