Molecule ID: mol6275
SMILES: Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C12H10N2O2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.67 | IUPAC digitized pKa | 1 » 0 |
| 3.67 | QSARToolbox | 1 » 0 |
| 3.77 | OCHEM | 1 » 0 |
| 3.77 | OCHEM | 1 » 0 |
| 3.78 | AttenGpKa training set | 1 » 0 |
| 3.86 | QSARToolbox | 1 » 0 |
| 3.86 | IUPAC digitized pKa | 1 » 0 |