| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5066796 |
| InChI Key | JXBPQQPESPAUPO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O1 |
| Molecular Weight | 168.15 |
| AlogP | 3.49 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22418-65-1 |
| NORMAN SUSDAT | |
| PubChem | 89706 |
| ChemSpider | 80965.0 |