| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40571648 |
| InChI Key | XAZKWGLYRRMFFE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9F13O2S1 |
| Molecular Weight | 452.01 |
| AlogP | 5.32 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 149339-57-1 |
| NORMAN SUSDAT | |
| PubChem | 15333596 |
| ChemSpider | 28688928.0 |