Molecule ID: mol7693
SMILES: O=[N+]([O-])c1ccc2[nH]ccc2c1
InChI: InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 14.75 | IUPAC digitized pKa | 0 » -1 |
| 14.75 | IUPAC digitized pKa | 0 » -1 |
| 14.75 | OCHEM | 0 » -1 |
| 14.75 | AttenGpKa training set | 0 » -1 |
| 14.88 | QSARToolbox | 0 » -1 |
| 14.90 | QSARToolbox | 0 » -1 |