Molecule ID: mol20322

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC[C@@H]1CNC(N)=N[C@@H]1C

InChI: InChI=1S/C21H28N6O4S/c1-14-8-9-18(26-32(30,31)13-16-6-4-3-5-7-16)20(29)27(14)12-19(28)23-10-17-11-24-21(22)25-15(17)2/h3-9,15,17,26H,10-13H2,1-2H3,(H,23,28)(H3,22,24,25)/t15-,17-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
14.00 Baltruschat ChEMBL -2 » -3
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Charge States and Microspecies Visualization