Molecule ID: mol21359

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2c(OC)cccc12

InChI: InChI=1S/C22H20IN3O4S/c1-29-19-6-4-5-16-21(15-9-7-13(23)11-18(15)25-22(16)19)24-17-10-8-14(12-20(17)30-2)26-31(3,27)28/h4-12,26H,1-3H3,(H,24,25)

Experimental Macro pKa Values

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