Molecule ID: mol538

SMILES: CCC(CC)NC(=O)c1c(C)nn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1

InChI: InChI=1S/C23H28N4O3S/c1-5-18(6-2)24-23(28)21-17(4)25-27(19-10-8-7-9-11-19)22(21)26-31(29,30)20-14-12-16(3)13-15-20/h7-15,18,26H,5-6H2,1-4H3,(H,24,28)

Experimental Macro pKa Values

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