01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Methyl calvatate
- Molecular Formula
- C9H7N3O3
- Molecular Weight
- No data
- Canonical SMILES
- COC(=O)C1=CC=C(C=C1)[N+](=NC#N)[O-]
- Isomeric SMILES
- COC(=O)C1=CC=C(C=C1)[N+](=NC#N)[O-]
- InChI
- InChI=1S/C9H7N3O3/c1-15-9(13)7-2-4-8(5-3-7)12(14)11-6-10/h2-5H,1H3
- Oral Bioavailability
- 66.741
- Drug Likeness
- 0.241
- 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.