| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6067543 |
| InChI Key | NQUNIMFHIWQQGJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H4N2O4S1 |
| Molecular Weight | 223.99 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 104.23 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30211-77-9 |
| NORMAN SUSDAT | |
| PubChem | 92266 |
| ChemSpider | 83300.0 |