| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 992RV42BM9 |
| EPA CompTox | DTXSID60172999 |
Structure
| InChI Key | CFKYGISPRYOSCQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8N2O2S2 |
| Molecular Weight | 288.0 |
| AlogP | 4.36 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 56.03 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19387-54-3 |
| NORMAN SUSDAT | |
| FDA SRS | 992RV42BM9 |
| PubChem | 88033 |
| ChemSpider | 79420.0 |
CONTENTS
