Molecule ID: mol16249

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C2CCCCC2NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C25H32ClF3N4O5S/c1-3-4-9-21-31-23(26)20(14-22(34)38-2)33(21)15-16-10-12-17(13-11-16)30-24(35)18-7-5-6-8-19(18)32-39(36,37)25(27,28)29/h10-13,18-19,32H,3-9,14-15H2,1-2H3,(H,30,35)

Experimental Macro pKa Values

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