| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JLR79EMU7C |
| EPA CompTox | DTXSID8063838 |
Structure
| InChI Key | QYGWFFSAYBRMHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10N1O3P1S1 |
| Molecular Weight | 291.01 |
| AlogP | 4.36 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 47.89 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5401-14-9 |
| NORMAN SUSDAT | |
| FDA SRS | JLR79EMU7C |
| PubChem | 79397 |
| ChemSpider | 71716.0 |
CONTENTS
