Molecule ID: mol16875
SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3ccc4c(c3)OCO4)ccc12
InChI: InChI=1S/C28H28FN3O3/c1-33-26-8-5-22(29)16-21(26)17-30-10-2-11-31-24-9-12-32-25-14-19(3-6-23(24)25)13-20-4-7-27-28(15-20)35-18-34-27/h3-9,12,14-16,30H,2,10-11,13,17-18H2,1H3,(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | Baltruschat ChEMBL | 1 » 0 |