| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60276880 |
Structure
| InChI Key | KPQNHJKRZKOLGW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H2N4 |
| Molecular Weight | 142.03 |
| AlogP | 0.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 95.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36589-04-5 |
| NORMAN SUSDAT | |
| PubChem | 211183 |
| ChemSpider | 183077.0 |
CONTENTS
