| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S896M7X4Y7 |
| EPA CompTox | DTXSID00197601 |
Structure
| InChI Key | UJHZBYGCKHWQJT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6N2O2S1 |
| Molecular Weight | 158.01 |
| AlogP | 0.32 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.24 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4874-36-6 |
| NORMAN SUSDAT | |
| FDA SRS | S896M7X4Y7 |
| PubChem | 78589 |
| ChemSpider | 70946.0 |
CONTENTS
