Molecule ID: mol15141
SMILES: CN(C)c1ccc(/N=N/c2ccncc2)cc1
InChI: InChI=1S/C13H14N4/c1-17(2)13-5-3-11(4-6-13)15-16-12-7-9-14-10-8-12/h3-10H,1-2H3/b16-15+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Datawarrior | 1 » 0 |
| 3.40 | AttenGpKa training set | 1 » 0 |
| 3.40 | QSARToolbox | 1 » 0 |
| 5.80 | Datawarrior | 1 » 0 |
| 5.80 | AttenGpKa training set | 1 » 0 |