| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70464615 |
| InChI Key | HNEIKMUHLLYTLP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H9F17O1S1 |
| Molecular Weight | 572.01 |
| AlogP | 7.88 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 35.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 142623-70-9 |
| NORMAN SUSDAT | |
| PubChem | 11398975 |
| ChemSpider | 9573875.0 |