| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00196730 |
Structure
| InChI Key | CGMJQRAIQBSTCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O2S1 |
| Molecular Weight | 184.03 |
| AlogP | 0.96 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.08 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 46118-95-0 |
| NORMAN SUSDAT | |
| PubChem | 98782 |
| ChemSpider | 89218.0 |
CONTENTS
