Molecule ID: mol3763
SMILES: O=[N+]([O-])c1cccnc1
InChI: InChI=1S/C5H4N2O2/c8-7(9)5-2-1-3-6-4-5/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.77 | QSARToolbox | 1 » 0 |
| 0.77 | IUPAC digitized pKa | 1 » 0 |
| 0.79 | OCHEM | 1 » 0 |
| 0.81 | QSARToolbox | 1 » 0 |
| 0.92 | QSARToolbox | 1 » 0 |
| 0.95 | AttenGpKa training set | 1 » 0 |
| 1.18 | IUPAC digitized pKa | 1 » 0 |
| 1.18 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.18 | OCHEM | 1 » 0 |
| 1.18 | OCHEM | 1 » 0 |
| 1.18 | OCHEM | 1 » 0 |