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)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization