Molecule ID: mol18185

SMILES: C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1

InChI: InChI=1S/C20H22N4O3S2/c1-15(13-25)21-18-12-19(24-29(26,27)17-10-6-3-7-11-17)23-20(22-18)28-14-16-8-4-2-5-9-16/h2-12,15,25H,13-14H2,1H3,(H2,21,22,23,24)/t15-/m1/s1

Experimental Macro pKa Values

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