| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SQH72F8YA3 |
| EPA CompTox | DTXSID80175947 |
Structure
| InChI Key | ADOJVBUVXRZBHE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2O2S1 |
| Molecular Weight | 186.05 |
| AlogP | 0.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.24 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21585-16-0 |
| NORMAN SUSDAT | |
| FDA SRS | SQH72F8YA3 |
| PubChem | 1511006 |
| ChemSpider | 1243875.0 |
CONTENTS
