| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3071303 |
| InChI Key | IGHHYZVIDWXKMF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H14F11N1O4S1 |
| Molecular Weight | 489.05 |
| AlogP | 3.82 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68227-99-6 |
| NORMAN SUSDAT | |
| PubChem | 109857 |
| ChemSpider | 98697.0 |