| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6070510 |
| InChI Key | BEIWUHUHJDEMQO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12F9N1O4S1 |
| Molecular Weight | 425.03 |
| AlogP | 2.79 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67584-59-2 |
| NORMAN SUSDAT | |
| PubChem | 105452 |
| ChemSpider | 95103.0 |