| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | OBI166S5VM |
| EPA CompTox | DTXSID20225692 |
Structure
| InChI Key | PFQJPSASUCHKRO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N2O1S1 |
| Molecular Weight | 166.02 |
| AlogP | 1.41 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Polar Surface Area | 59.87 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7471-03-6 |
| NORMAN SUSDAT | |
| FDA SRS | OBI166S5VM |
| PubChem | 24057 |
| ChemSpider | 22489.0 |
CONTENTS
