| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70214637 |
| InChI Key | TYUHMMUUMWZPDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7N3O3S1 |
| Molecular Weight | 249.02 |
| AlogP | 2.69 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 88.62 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 64398-84-1 |
| NORMAN SUSDAT | |
| PubChem | 47359 |
| ChemSpider | 43104.0 |