| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7070501 |
| InChI Key | BWDDXILIAIZLEX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H6F15N1O2S1 |
| Molecular Weight | 488.99 |
| AlogP | 4.42 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 46.17 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67584-49-0 |
| NORMAN SUSDAT | |
| PubChem | 105438 |
| ChemSpider | 95089.0 |