Molecule ID: mol6048
SMILES: Nc1ccc(O)cc1[N+](=O)[O-]
InChI: InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | AttenGpKa training set | 1 » 0 |
| 1.20 | QSARToolbox | 1 » 0 |
| 9.00 | OCHEM | 0 » -1 |
| 9.04 | AttenGpKa training set | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |