| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071903 |
| InChI Key | SGKAKWJMQQSXDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12F15N1O4S1 |
| Molecular Weight | 563.02 |
| AlogP | 4.53 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 34.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68957-54-0 |
| NORMAN SUSDAT | |
| PubChem | 111905 |
| ChemSpider | 100339.0 |