| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30880433 |
| InChI Key | TZIPMEZQXPAKPK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H17F13N2O2S1 |
| Molecular Weight | 512.08 |
| AlogP | 3.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 49.41 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 34455-22-6 |
| NORMAN SUSDAT | |
| PubChem | 89927646 |
| ChemSpider | 23350873.0 |