Molecule ID: mol18482

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(I)ccc2NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C25H25ClF3IN4O5S/c1-3-4-5-21-32-23(26)20(13-22(35)39-2)34(21)14-15-6-9-17(10-7-15)31-24(36)18-12-16(30)8-11-19(18)33-40(37,38)25(27,28)29/h6-12,33H,3-5,13-14H2,1-2H3,(H,31,36)

Experimental Macro pKa Values

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