| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60962579 |
| InChI Key | PJZVGBUGVGILFO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10N4O2S |
| Molecular Weight | 286.05 |
| AlogP | 2.22 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 84.06 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 42580-28-9 |
| NORMAN SUSDAT | |
| PubChem | 3016374 |