| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J7QNO3QQR1 |
| EPA CompTox | DTXSID2068476 |
Structure
| InChI Key | XGWWZKBCQLBJNH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6N4S1 |
| Molecular Weight | 130.03 |
| AlogP | -0.06 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 68.32 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 45534-08-5 |
| NORMAN SUSDAT | |
| FDA SRS | J7QNO3QQR1 |
| PubChem | 78471 |
| ChemSpider | 70836.0 |
CONTENTS
