| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60185605 |
| InChI Key | QCAUMBKKZVOPPF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.12 |
| AlogP | 2.84 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 31704-82-2 |
| NORMAN SUSDAT | |
| PubChem | 3015588 |
| ChemSpider | 2283704.0 |