| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50188029 |
| InChI Key | XYQNMGJZDSSVRP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10F9N1O4S1 |
| Molecular Weight | 387.02 |
| AlogP | 1.03 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 77.84 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34455-00-0 |
| NORMAN SUSDAT | |
| PubChem | 118689 |
| ChemSpider | 106066.0 |