Molecule ID: mol21334

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2ccc(N)cc12

InChI: InChI=1S/C21H19IN4O3S/c1-29-20-11-14(26-30(2,27)28)5-8-18(20)25-21-15-6-3-12(22)9-19(15)24-17-7-4-13(23)10-16(17)21/h3-11,26H,23H2,1-2H3,(H,24,25)

Experimental Macro pKa Values

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