| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2070500 |
| InChI Key | OEYYQKXFSDVKJI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6F13N1O2S1 |
| Molecular Weight | 438.99 |
| AlogP | 3.79 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 46.17 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67584-48-9 |
| NORMAN SUSDAT | |
| PubChem | 105437 |
| ChemSpider | 95088.0 |