| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9GL34YY2GV |
| EPA CompTox | DTXSID50191957 |
Structure
| InChI Key | XZSIGWOVDPSPMG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8N2S1 |
| Molecular Weight | 224.04 |
| AlogP | 3.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 35.82 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 38642-74-9 |
| NORMAN SUSDAT | |
| FDA SRS | 9GL34YY2GV |
| PubChem | 98841 |
| ChemSpider | 88108.0 |
CONTENTS
