| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30379933 |
| InChI Key | AVKVPTNDWAGIMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8F16O2 |
| Molecular Weight | 488.03 |
| AlogP | 5.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 21.76 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 125370-60-7 |
| NORMAN SUSDAT | |
| PubChem | 2776262 |
| ChemSpider | 2056581.0 |