Molecule ID: mol3181
SMILES: CC(CN(C)C)C(C#N)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C19H22N2/c1-16(14-21(2)3)19(15-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16H,14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | Datawarrior | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 8.01 | OCHEM | 1 » 0 |
| 8.16 | IUPAC digitized pKa | 1 » 0 |