| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 26S837727Y |
| EPA CompTox | DTXSID7024291 |
Structure
| InChI Key | JYQUHIFYBATCCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15N2O3P1S1 |
| Molecular Weight | 298.05 |
| AlogP | 3.31 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 53.47 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13593-03-8 |
| NORMAN SUSDAT | |
| FDA SRS | 26S837727Y |
| PubChem | 26124 |
| ChemSpider | 24335.0 |
CONTENTS
