| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RUF459I8KS |
| EPA CompTox | DTXSID9021059 |
| InChI Key | CVTIZMOISGMZRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N3O1 |
| Molecular Weight | 115.07 |
| AlogP | -0.43 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 44.7 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5632-47-3 |
| NORMAN SUSDAT | |
| FDA SRS | RUF459I8KS |
| PubChem | 21845 |
| ChemSpider | 20531.0 |