| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3071806 |
Structure
| InChI Key | MXRBCICJILKUCS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O2S1 |
| Molecular Weight | 172.03 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.12 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68892-07-9 |
| NORMAN SUSDAT | |
| PubChem | 2821214 |
| ChemSpider | 2099442.0 |
CONTENTS
