Molecule ID: mol3182
SMILES: CC(CC(C#N)(c1ccccc1)c1ccccc1)N(C)C
InChI: InChI=1S/C19H22N2/c1-16(21(2)3)14-19(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 |
|---|---|---|
| 8.26 | IUPAC digitized pKa | 1 » 0 |
| 8.26 | OCHEM | 1 » 0 |
| 8.31 | Datawarrior | 1 » 0 |
| 8.31 | OCHEM | 1 » 0 |
| 8.68 | IUPAC digitized pKa | 1 » 0 |
| 8.68 | OCHEM | 1 » 0 |
| 8.68 | QSARToolbox | 1 » 0 |