| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071406 |
Structure
| InChI Key | WDFILKFJEJDOEV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N3O2S1 |
| Molecular Weight | 195.01 |
| AlogP | 1.75 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 92.95 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68310-01-0 |
| NORMAN SUSDAT | |
| PubChem | 110016 |
| ChemSpider | 96060.0 |
CONTENTS
