| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10175152 |
| InChI Key | FOCBRQQHNOKOJQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H14Cl1F1N2O2 |
| Molecular Weight | 332.07 |
| AlogP | 2.66 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.9 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 20971-53-3 |
| NORMAN SUSDAT | |
| PubChem | 30401 |
| ChemSpider | 28235.0 |