Molecule ID: mol4101
SMILES: Nc1ncc([N+](=O)[O-])cn1
InChI: InChI=1S/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.30 | AttenGpKa training set | 1 » 0 |
| 0.32 | QSARToolbox | 1 » 0 |
| 0.34 | OCHEM | 1 » 0 |
| 0.35 | QSARToolbox | 1 » 0 |
| 0.35 | IUPAC digitized pKa | 1 » 0 |