Molecule ID: mol18485

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cccc(C)c2NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C26H28ClF3N4O5S/c1-4-5-9-21-32-24(27)20(14-22(35)39-3)34(21)15-17-10-12-18(13-11-17)31-25(36)19-8-6-7-16(2)23(19)33-40(37,38)26(28,29)30/h6-8,10-13,33H,4-5,9,14-15H2,1-3H3,(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