| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40210969 |
| InChI Key | APNJFVPUIDYMQH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H13N1O1S1 |
| Molecular Weight | 267.07 |
| AlogP | 4.39 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61931-86-0 |
| NORMAN SUSDAT | |
| PubChem | 96158 |
| ChemSpider | 86801.0 |