| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q6YS0A8KQE |
| EPA CompTox | DTXSID20225410 |
Structure
| InChI Key | GGNIKGLUPSHSBV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4N2O1S1 |
| Molecular Weight | 128.0 |
| AlogP | 1.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.97 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 74411-19-1 |
| NORMAN SUSDAT | |
| FDA SRS | Q6YS0A8KQE |
| PubChem | 3018505 |
| ChemSpider | 2286022.0 |
CONTENTS
