| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70172602 |
Structure
| InChI Key | HEWSLJHLRNJJKR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8N2O4S2 |
| Molecular Weight | 271.99 |
| AlogP | 2.0 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 90.17 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19094-32-7 |
| NORMAN SUSDAT | |
| PubChem | 87929 |
| ChemSpider | 79328.0 |
CONTENTS
