| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QE8JYN5ZP9 |
| EPA CompTox | DTXSID7065756 |
Structure
| InChI Key | SQBCSDZTDXLTLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N3O2S1 |
| Molecular Weight | 195.01 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 82.05 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14346-19-1 |
| NORMAN SUSDAT | |
| FDA SRS | QE8JYN5ZP9 |
| PubChem | 84367 |
| ChemSpider | 76105.0 |
CONTENTS
