| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3LA24473AS |
| EPA CompTox | DTXSID50234070 |
Structure
| InChI Key | YICRPERKKBDRSP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O2S1 |
| Molecular Weight | 171.04 |
| AlogP | 1.43 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 52.32 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85006-31-1 |
| NORMAN SUSDAT | |
| FDA SRS | 3LA24473AS |
| PubChem | 123584 |
| ChemSpider | 110178.0 |
CONTENTS
