| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4068874 |
| InChI Key | XMGJTUPJPBHYCF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H14N2O1S1 |
| Molecular Weight | 282.08 |
| AlogP | 3.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 32.67 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53633-39-9 |
| NORMAN SUSDAT | |
| PubChem | 103813 |
| ChemSpider | 93725.0 |