| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4070875 |
| InChI Key | KKCCHFWHAXJXIQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H16F13N1O4S1 |
| Molecular Weight | 553.06 |
| AlogP | 4.84 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67939-61-1 |
| NORMAN SUSDAT | |
| PubChem | 106182 |
| ChemSpider | 95638.0 |