| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10193639 |
| InChI Key | SSTHBHCRNGPPAI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10F17N1O4S1 |
| Molecular Weight | 587.01 |
| AlogP | 3.57 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 77.84 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40630-61-3 |
| NORMAN SUSDAT | |
| PubChem | 3016206 |
| ChemSpider | 2284195.0 |