01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Onitin
- Molecular Formula
- C15H20O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O)C)CCO
- Isomeric SMILES
- CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O)C)CCO
- InChI
- InChI=1S/C15H20O3/c1-8-10(5-6-16)9(2)13(17)11-7-15(3,4)14(18)12(8)11/h16-17H,5-7H2,1-4H3
- Oral Bioavailability
- No data
- Drug Likeness
- 0.844
- 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.