Molecule ID: mol16898

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12

InChI: InChI=1S/C28H24F7N3O/c1-39-26-6-4-22(29)13-19(26)16-36-8-2-9-37-24-7-10-38-25-14-17(3-5-23(24)25)18-11-20(27(30,31)32)15-21(12-18)28(33,34)35/h3-7,10-15,36H,2,8-9,16H2,1H3,(H,37,38)

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