| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UIW9V5VA8U |
| EPA CompTox | DTXSID00235214 |
Structure
| InChI Key | PDJISJMRQRYBGA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H15N1O4S1 |
| Molecular Weight | 305.07 |
| AlogP | 4.07 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 61.6 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85896-13-5 |
| NORMAN SUSDAT | |
| FDA SRS | UIW9V5VA8U |
| PubChem | 835682 |
| ChemSpider | 729956.0 |
CONTENTS
