| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7070509 |
| InChI Key | HLKZFXXWGVPYAY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10F13N1O4S1 |
| Molecular Weight | 511.01 |
| AlogP | 3.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67584-57-0 |
| NORMAN SUSDAT | |
| PubChem | 105449 |
| ChemSpider | 95100.0 |