Molecule ID: mol15081
SMILES: CC(C)N(CCC(c1ccccc1)c1ccccn1)C(C)C
InChI: InChI=1S/C20H28N2/c1-16(2)22(17(3)4)15-13-19(18-10-6-5-7-11-18)20-12-8-9-14-21-20/h5-12,14,16-17,19H,13,15H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | Datawarrior | 2 » 1 |
| 3.20 | QSARToolbox | 2 » 1 |
| 10.50 | Datawarrior | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |