Molecule ID: mol18481

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C32H32ClF3N4O5S/c1-3-4-14-28-37-30(33)27(19-29(41)45-2)40(28)21-23-15-17-24(18-16-23)39(20-22-10-6-5-7-11-22)31(42)25-12-8-9-13-26(25)38-46(43,44)32(34,35)36/h5-13,15-18,38H,3-4,14,19-21H2,1-2H3

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