Molecule ID: mol14734
SMILES: CN(C)CCCN=C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C18H22N2/c1-20(2)15-9-14-19-18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13H,9,14-15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | QSARToolbox | 2 » 1 |
| 5.20 | Datawarrior | 2 » 1 |
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | Datawarrior | 1 » 0 |