| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20237311 |
Structure
| InChI Key | NIEOYUNNKKAQKI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O2S1 |
| Molecular Weight | 170.01 |
| AlogP | 0.65 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.08 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 88768-45-0 |
| NORMAN SUSDAT | |
| PubChem | 581022 |
| ChemSpider | 94581.0 |
CONTENTS
