Molecule ID: mol4091
SMILES: Nc1nc(O)ncc1[N+](=O)[O-]
InChI: InChI=1S/C4H4N4O3/c5-3-2(8(10)11)1-6-4(9)7-3/h1H,(H3,5,6,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | QSARToolbox | 1 » 0 |
| 7.34 | AttenGpKa training set | 0 » -1 |
| 7.40 | IUPAC digitized pKa | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.43 | IUPAC digitized pKa | 0 » -1 |