Molecule ID: mol21357

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(S(C)(=O)=O)ccc12

InChI: InChI=1S/C22H21N3O5S2/c1-30-21-12-14(25-32(3,28)29)8-11-19(21)24-22-16-6-4-5-7-18(16)23-20-13-15(31(2,26)27)9-10-17(20)22/h4-13,25H,1-3H3,(H,23,24)

Experimental Macro pKa Values

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