Molecule ID: mol18059
SMILES: CCN1CCCC(NCc2c3ccccc3c(CNC3CCCN(CC)C3)c3ccccc23)C1
InChI: InChI=1S/C30H42N4/c1-3-33-17-9-11-23(21-33)31-19-29-25-13-5-7-15-27(25)30(28-16-8-6-14-26(28)29)20-32-24-12-10-18-34(4-2)22-24/h5-8,13-16,23-24,31-32H,3-4,9-12,17-22H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | Baltruschat ChEMBL | 4 » 3 |
| 3.00 | Baltruschat ChEMBL | 4 » 3 |
| 5.20 | Baltruschat ChEMBL | 3 » 2 |
| 9.15 | Baltruschat ChEMBL | 1 » 0 |