Molecule ID: mol20407

SMILES: CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC

InChI: InChI=1S/C28H32N4O5S/c1-3-36-27-17-20(9-11-26(27)35-2)19-32-15-13-21(14-16-32)29-28-30-24-18-22(10-12-25(24)37-28)31-38(33,34)23-7-5-4-6-8-23/h4-12,17-18,21,31H,3,13-16,19H2,1-2H3,(H,29,30)

Experimental Macro pKa Values

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