| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P4IE5B6D6U |
| EPA CompTox | DTXSID9048772 |
Structure
| InChI Key | SVMGVZLUIWGYPH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8N2O3S1 |
| Molecular Weight | 272.03 |
| AlogP | 4.12 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 64.73 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19881-18-6 |
| NORMAN SUSDAT | |
| FDA SRS | P4IE5B6D6U |
| PubChem | 68547 |
| ChemSpider | 61821.0 |
CONTENTS
