Molecule ID: mol16921

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4cccc(C(F)(F)F)c4)ccc23)c1O

InChI: InChI=1S/C28H28F3N3O2/c1-36-26-8-3-6-21(27(26)35)18-32-12-4-13-33-24-11-14-34-25-17-20(9-10-23(24)25)15-19-5-2-7-22(16-19)28(29,30)31/h2-3,5-11,14,16-17,32,35H,4,12-13,15,18H2,1H3,(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
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Charge States and Microspecies Visualization