Molecule ID: mol16897

SMILES: FC(F)(F)c1cc(-c2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc(C(F)(F)F)c1

InChI: InChI=1S/C28H23F6N3O2/c29-27(30,31)20-11-19(12-21(14-20)28(32,33)34)18-3-4-22-23(6-9-37-24(22)13-18)36-8-1-7-35-15-17-2-5-25-26(10-17)39-16-38-25/h2-6,9-14,35H,1,7-8,15-16H2,(H,36,37)

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