| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70881121 |
| InChI Key | AGKZAFDQVNHYRO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10F17N1O4S1 |
| Molecular Weight | 587.01 |
| AlogP | 3.57 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 77.84 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 93894-66-7 |
| NORMAN SUSDAT | |
| PubChem | 44152238 |
| ChemSpider | 31149925.0 |