Molecule ID: mol16887

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3ccc(C(F)(F)F)cc3)ccc12

InChI: InChI=1S/C27H25F4N3O/c1-35-26-10-8-22(28)15-20(26)17-32-12-2-13-33-24-11-14-34-25-16-19(5-9-23(24)25)18-3-6-21(7-4-18)27(29,30)31/h3-11,14-16,32H,2,12-13,17H2,1H3,(H,33,34)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization