| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JPB68RZ6WP |
| EPA CompTox | DTXSID8059138 |
| InChI Key | KIMXIMWZIRTKCQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O4S1 |
| Molecular Weight | 216.02 |
| AlogP | 0.58 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 103.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 96-74-2 |
| NORMAN SUSDAT | |
| FDA SRS | JPB68RZ6WP |
| PubChem | 66785 |
| ChemSpider | 60150.0 |