Molecule ID: mol3916
SMILES: Cn1cnc([N+](=O)[O-])c1
InChI: InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.53 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.53 | OCHEM | 1 » 0 |
| -0.53 | OCHEM | 1 » 0 |
| -0.53 | AttenGpKa training set | 1 » 0 |
| -0.53 | QSARToolbox | 1 » 0 |