| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9XHN8GPC98 |
| EPA CompTox | DTXSID00202688 |
| InChI Key | AXDFTMWKPNDOPE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16 |
| AlogP | 3.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5432-30-4 |
| NORMAN SUSDAT | |
| FDA SRS | 9XHN8GPC98 |
| PubChem | 79486 |
| ChemSpider | 71799.0 |