| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VK4FNV7HCG |
| EPA CompTox | DTXSID40351023 |
Structure
| InChI Key | YGXADLPRHBRTPG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2S1 |
| Molecular Weight | 138.03 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 49.81 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 138564-58-6 |
| NORMAN SUSDAT | |
| FDA SRS | VK4FNV7HCG |
| PubChem | 689056 |
| ChemSpider | 600436.0 |
CONTENTS
