| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UKI2IW0CAY |
| EPA CompTox | DTXSID80191283 |
Structure
| InChI Key | FNCOVSWSZZVFBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H6N2O1 |
| Molecular Weight | 170.05 |
| AlogP | 1.82 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 67.81 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3785-90-8 |
| NORMAN SUSDAT | |
| FDA SRS | UKI2IW0CAY |
| PubChem | 92970 |
| ChemSpider | 83923.0 |
CONTENTS
