Molecule ID: mol18404

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C(N)=O)cccc12

InChI: InChI=1S/C22H19ClN4O4S/c1-31-19-11-13(27-32(2,29)30)7-9-17(19)25-20-14-8-6-12(23)10-18(14)26-21-15(20)4-3-5-16(21)22(24)28/h3-11,27H,1-2H3,(H2,24,28)(H,25,26)

Experimental Macro pKa Values

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