| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R4KR9A9165 |
| EPA CompTox | DTXSID70149637 |
Structure
| InChI Key | YUCHAYRHHXJNQK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H2N4S1 |
| Molecular Weight | 126.0 |
| AlogP | -0.15 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 64.83 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111393-84-1 |
| NORMAN SUSDAT | |
| FDA SRS | R4KR9A9165 |
CONTENTS
