Molecule ID: mol556

SMILES: O=C(NS(=O)(=O)c1ccc(F)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C23H26Cl2FN3O4S/c24-21-6-3-19(15-22(21)25)33-18-9-13-28(14-10-18)17-7-11-29(12-8-17)23(30)27-34(31,32)20-4-1-16(26)2-5-20/h1-6,15,17-18H,7-14H2,(H,27,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 Hunt 2 » 1
3.00 Hunt 2 » 1
8.45 Hunt 0 » -1
8.45 Hunt 0 » -1
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Charge States and Microspecies Visualization