| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6V404DV25O |
| EPA CompTox | DTXSID50901654 |
Structure
| InChI Key | UIJIQXGRFSPYQW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N4S1 |
| Molecular Weight | 166.03 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 54.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50-66-8 |
| NORMAN SUSDAT | |
| FDA SRS | 6V404DV25O |
| PubChem | 5778 |
| ChemSpider | 5574.0 |
CONTENTS
