| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BX009BG5FS |
| EPA CompTox | DTXSID30218010 |
| InChI Key | XEGSKOYSJGIUCY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.07 |
| AlogP | 0.84 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 71.29 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67730-09-0 |
| NORMAN SUSDAT | |
| FDA SRS | BX009BG5FS |
| PubChem | 97558 |
| ChemSpider | 88052.0 |