| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1PV3S9WP3D |
| EPA CompTox | DTXSID80149365 |
| InChI Key | BCSVCWVQNOXFGL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H12F3N3O3S |
| Molecular Weight | 419.06 |
| AlogP | 3.7 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 85.08 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 110703-94-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1PV3S9WP3D |
| PubChem | 1613 |