| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60234465 |
Structure
| InChI Key | YOKOQKPBIKJVBM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.1 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85269-36-9 |
| NORMAN SUSDAT | |
| PubChem | 3020590 |
| ChemSpider | 2287439.0 |
CONTENTS
