| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6070512 |
| InChI Key | MVZJFKDUUZOQFM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12F13N1O4S1 |
| Molecular Weight | 525.03 |
| AlogP | 4.06 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67584-61-6 |
| NORMAN SUSDAT | |
| PubChem | 105454 |
| ChemSpider | 95105.0 |