Molecule ID: mol15143
SMILES: CN(C)c1ccc(/N=N/c2ccccn2)cc1
InChI: InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3/b16-15+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.64 | AttenGpKa training set | 2 » 1 |
| 2.00 | Datawarrior | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 4.50 | Datawarrior | 1 » 0 |
| 4.50 | AttenGpKa training set | 1 » 0 |