| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70379871 |
| InChI Key | HMGDEQANNRNNKX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H7F13O1 |
| Molecular Weight | 378.03 |
| AlogP | 4.5 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80806-68-4 |
| NORMAN SUSDAT | |
| PubChem | 2776181 |
| ChemSpider | 2056503.0 |