Molecule ID: mol15150
SMILES: CN(C)c1ccc(/C=C/c2ccncc2)cc1
InChI: InChI=1S/C15H16N2/c1-17(2)15-7-5-13(6-8-15)3-4-14-9-11-16-12-10-14/h3-12H,1-2H3/b4-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | Datawarrior | 2 » 1 |
| 6.25 | Datawarrior | 1 » 0 |
| 6.34 | QSARToolbox | 1 » 0 |