| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SE56M5KS9T |
| EPA CompTox | DTXSID4068458 |
| InChI Key | AJGJUXSVUPXOHL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10N2O2S1 |
| Molecular Weight | 246.05 |
| AlogP | 3.33 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 43156-47-4 |
| NORMAN SUSDAT | |
| FDA SRS | SE56M5KS9T |
| PubChem | 170737 |
| ChemSpider | 149270.0 |