Molecule ID: mol37674
SMILES: CCN(CC)CC(C)C(C#N)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H26N2/c1-4-23(5-2)16-18(3)21(17-22,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,4-5,16H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | QSARToolbox | 1 » 0 |
| 8.16 | QSARToolbox | 1 » 0 |