| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 233IZ4495B |
| EPA CompTox | DTXSID0044656 |
| InChI Key | VTHRQKSLPFJQHN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.09 |
| AlogP | 0.85 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 66.04 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3386-87-6 |
| NORMAN SUSDAT | |
| FDA SRS | 233IZ4495B |
| PubChem | 76921 |
| ChemSpider | 69372.0 |