01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 473-08-5
- Molecular Formula
- C15H22O
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2CC(CCC2(CCC1=O)C)C(=C)C
- Isomeric SMILES
- CC1=C2C[C@@H](CC[C@]2(CCC1=O)C)C(=C)C
- InChI
- InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1
- Oral Bioavailability
- 35.534
- Drug Likeness
- 0.607
- 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