Molecule ID: mol21322

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2cc(Cl)ccc12

InChI: InChI=1S/C21H17Cl2N3O3S/c1-29-20-11-14(26-30(2,27)28)5-8-17(20)25-21-15-6-3-12(22)9-18(15)24-19-10-13(23)4-7-16(19)21/h3-11,26H,1-2H3,(H,24,25)

Experimental Macro pKa Values

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