Molecule ID: mol20321

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1nc(CN)cs1

InChI: InChI=1S/C20H23N5O4S2/c1-14-7-8-17(24-31(28,29)13-15-5-3-2-4-6-15)20(27)25(14)11-18(26)22-10-19-23-16(9-21)12-30-19/h2-8,12,24H,9-11,13,21H2,1H3,(H,22,26)

Experimental Macro pKa Values

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