Molecule ID: mol1109
SMILES: Oc1ccc(/N=N/c2ccccc2)cc1
InChI: InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.93 | AttenGpKa training set | 1 » 0 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |
| 8.20 | IUPAC digitized pKa | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | Hunt | 0 » -1 |
| 8.20 | OCHEM | 0 » -1 |
| 8.40 | AttenGpKa training set | 0 » -1 |
| 8.44 | Datawarrior | 0 » -1 |