| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 23NTH4Q68A |
| EPA CompTox | DTXSID20221598 |
| InChI Key | UGLVGAQTGSVVNK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O6S1 |
| Molecular Weight | 233.99 |
| AlogP | 0.13 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 143.76 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 71411-74-0 |
| NORMAN SUSDAT | |
| FDA SRS | 23NTH4Q68A |
| PubChem | 5486397 |
| ChemSpider | 4588922.0 |