| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2TW9QVR29N |
| EPA CompTox | DTXSID60168716 |
| InChI Key | NSBSVUUVECHDDX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.07 |
| AlogP | 1.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.16 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16947-63-0 |
| NORMAN SUSDAT | |
| FDA SRS | 2TW9QVR29N |
| PubChem | 28159 |
| ChemSpider | 26195.0 |