Molecule ID: mol20774

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1

InChI: InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)

Experimental Macro pKa Values

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