Molecule ID: mol18196

SMILES: CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1

InChI: InChI=1S/C25H27N3O4S/c1-33(30,31)24-7-5-19(6-8-24)18-32-23-4-2-3-21(17-23)27-25(29)20-11-15-28(16-12-20)22-9-13-26-14-10-22/h2-10,13-14,17,20H,11-12,15-16,18H2,1H3,(H,27,29)

Experimental Macro pKa Values

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