| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10881125 |
| InChI Key | ZGKQZNCLVBOAST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H4F17N1O2S1 |
| Molecular Weight | 512.97 |
| AlogP | 4.5 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 46.17 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 93894-71-4 |
| NORMAN SUSDAT | |
| PubChem | 44147267 |
| ChemSpider | 31149924.0 |