Molecule ID: mol3368
SMILES: O=[N+]([O-])c1ccc(Nc2ccccc2)cc1
InChI: InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.74 | AttenGpKa training set | 1 » 0 |
| -2.50 | IUPAC digitized pKa | 1 » 0 |
| -2.50 | Datawarrior | 1 » 0 |
| -2.50 | OCHEM | 1 » 0 |
| -2.50 | QSARToolbox | 1 » 0 |
| -2.35 | OCHEM | 1 » 0 |
| -2.28 | IUPAC digitized pKa | 1 » 0 |
| -2.23 | QSARToolbox | 1 » 0 |
| -2.23 | IUPAC digitized pKa | 1 » 0 |