Molecule ID: mol16486
SMILES: c1ccc(CN2CCC(Nc3nc(N4CCCCC4)nc4cc5c(cc34)OCO5)CC2)cc1
InChI: InChI=1S/C26H31N5O2/c1-3-7-19(8-4-1)17-30-13-9-20(10-14-30)27-25-21-15-23-24(33-18-32-23)16-22(21)28-26(29-25)31-11-5-2-6-12-31/h1,3-4,7-8,15-16,20H,2,5-6,9-14,17-18H2,(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.45 | Baltruschat ChEMBL | 2 » 1 |