| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6066943 |
| InChI Key | XKHWTDCFQVKNHW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H4N2O3S1 |
| Molecular Weight | 171.99 |
| AlogP | 0.17 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 83.31 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23945-50-8 |
| NORMAN SUSDAT | |
| PubChem | 3002041 |
| ChemSpider | 2273254.0 |