Molecule ID: mol16930
SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3cccc(C(F)(F)F)c3)ccc12
InChI: InChI=1S/C28H27F4N3O/c1-36-27-9-7-23(29)17-21(27)18-33-11-3-12-34-25-10-13-35-26-16-20(6-8-24(25)26)14-19-4-2-5-22(15-19)28(30,31)32/h2,4-10,13,15-17,33H,3,11-12,14,18H2,1H3,(H,34,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | Baltruschat ChEMBL | 1 » 0 |