| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 98UIF19AH9 |
| EPA CompTox | DTXSID9032614 |
| InChI Key | MNFMIVVPXOGUMX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13Cl1F3N3O4 |
| Molecular Weight | 355.05 |
| AlogP | 3.98 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 89.52 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33245-39-5 |
| NORMAN SUSDAT | |
| FDA SRS | 98UIF19AH9 |
| PubChem | 36392 |
| ChemSpider | 33448.0 |