| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2068896 |
| InChI Key | OSPPRBGGVRKEJL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N3O3 |
| Molecular Weight | 195.06 |
| AlogP | 1.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 101.75 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53987-32-9 |
| NORMAN SUSDAT | |
| PubChem | 5484716 |
| ChemSpider | 2968459.0 |