| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40177588 |
Structure
| InChI Key | WIJQCPIRWXSWQG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N2S1 |
| Molecular Weight | 150.03 |
| AlogP | 1.71 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 39.64 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23031-78-9 |
| NORMAN SUSDAT | |
| PubChem | 89966 |
| ChemSpider | 81213.0 |
CONTENTS
