| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60234849 |
| InChI Key | JPAKDWDSBDWWRK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N1O4 |
| Molecular Weight | 171.05 |
| AlogP | -1.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 63.68 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 85614-53-5 |
| NORMAN SUSDAT | |
| PubChem | 44147335 |
| ChemSpider | 21165067.0 |