| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 775CF2Y50F |
| EPA CompTox | DTXSID20176599 |
| InChI Key | HPMSQLYFMOOLKS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H14O1 |
| Molecular Weight | 114.1 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22094-00-4 |
| NORMAN SUSDAT | |
| FDA SRS | 775CF2Y50F |
| PubChem | 5463936 |
| ChemSpider | 4576450.0 |