| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0069830 |
| InChI Key | VUJLMASTRUYUHD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10F3N1O4 |
| Molecular Weight | 301.06 |
| AlogP | 3.39 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.03 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 63450-46-4 |
| NORMAN SUSDAT | |
| PubChem | 113207 |
| ChemSpider | 101457.0 |