Molecule ID: mol16490
SMILES: c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4ccccc34)CC2)cc1
InChI: InChI=1S/C25H31N5/c1-3-9-20(10-4-1)19-29-17-13-21(14-18-29)26-24-22-11-5-6-12-23(22)27-25(28-24)30-15-7-2-8-16-30/h1,3-6,9-12,21H,2,7-8,13-19H2,(H,26,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Baltruschat ChEMBL | 2 » 1 |