| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8068703 |
| InChI Key | CPQZFVALGRYOJM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16N4S1 |
| Molecular Weight | 260.11 |
| AlogP | 4.4 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 40.85 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52048-31-4 |
| NORMAN SUSDAT | |
| PubChem | 104065 |
| ChemSpider | 93951.0 |