| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9052424 |
| InChI Key | XTLADQIHXKMVGQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H20O1 |
| Molecular Weight | 180.15 |
| AlogP | 3.35 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68845-36-3 |
| NORMAN SUSDAT | |
| PubChem | 111384 |
| ChemSpider | 99939.0 |