Molecule ID: mol18060
SMILES: CN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c2ccccc12
InChI: InChI=1S/C24H34N4/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23/h5-12,25-26H,13-18H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Baltruschat ChEMBL | 4 » 3 |
| 5.35 | Baltruschat ChEMBL | 3 » 2 |
| 8.40 | Baltruschat ChEMBL | 2 » 1 |
| 9.40 | Baltruschat ChEMBL | 1 » 0 |