01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 11
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 13657-68-6
- Molecular Formula
- C15H24O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC=C(CC(=O)C(CC1=O)C(C)C)C
- Isomeric SMILES
- C[C@H]1CC/C=C(/CC(=O)[C@@H](CC1=O)C(C)C)\C
- InChI
- InChI=1S/C15H24O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,10,12-13H,5,7-9H2,1-4H3/b11-6+/t12-,13-/m0/s1
- Oral Bioavailability
- 7.001
- Drug Likeness
- 0.652
- 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.