| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 425KZE7SGN |
| EPA CompTox | DTXSID40190454 |
Structure
| InChI Key | BLYAANPIHFKKMQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N3O2S1 |
| Molecular Weight | 197.03 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 79.02 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3696-22-8 |
| NORMAN SUSDAT | |
| FDA SRS | 425KZE7SGN |
| PubChem | 2760234 |
| ChemSpider | 2040977.0 |
CONTENTS
