Molecule ID: mol20299

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)cn1

InChI: InChI=1S/C20H22N6O4S/c1-14-7-8-17(25-31(29,30)13-15-5-3-2-4-6-15)20(28)26(14)12-19(27)24-10-16-9-23-18(21)11-22-16/h2-9,11,25H,10,12-13H2,1H3,(H2,21,23)(H,24,27)

Experimental Macro pKa Values

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