Molecule ID: mol38188
SMILES: CN1CCN(C)Cc2ccc(cc2)CN2CCN(CCN(C)CCN3CCN(CC3)Cc3ccc(cc3)CN(C)CC1)CC2
InChI: InChI=1S/C36H60N8/c1-37-13-15-39(3)29-33-5-9-35(10-6-33)31-43-25-21-41(22-26-43)19-17-38(2)18-20-42-23-27-44(28-24-42)32-36-11-7-34(8-12-36)30-40(4)16-14-37/h5-12H,13-32H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.78 | QSARToolbox | 6 » 5 |
| 6.11 | QSARToolbox | 5 » 4 |
| 6.65 | QSARToolbox | 5 » 4 |
| 7.84 | QSARToolbox | 3 » 2 |
| 8.67 | QSARToolbox | 1 » 0 |
| 9.81 | QSARToolbox | 1 » 0 |