| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5074503 |
Structure
| InChI Key | NUMYTLIHYKESKM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6N2O2S1 |
| Molecular Weight | 194.01 |
| AlogP | 2.31 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 66.93 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13287-49-5 |
| NORMAN SUSDAT | |
| PubChem | 83306 |
| ChemSpider | 75167.0 |
CONTENTS
