Molecule ID: mol12225
SMILES: CN(C)Cc1cc(-c2ccccc2)cc(CN(C)C)c1O
InChI: InChI=1S/C18H24N2O/c1-19(2)12-16-10-15(14-8-6-5-7-9-14)11-17(18(16)21)13-20(3)4/h5-11,21H,12-13H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.65 | IUPAC digitized pKa | 2 » 1 |
| 5.65 | Datawarrior | 2 » 1 |
| 5.65 | AttenGpKa training set | 2 » 1 |
| 5.65 | QSARToolbox | 2 » 1 |
| 5.65 | OCHEM | 2 » 1 |