Molecule ID: mol18407

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

InChI: InChI=1S/C23H22N4O4S/c1-13-7-9-15-19(11-13)26-22-16(5-4-6-17(22)23(24)28)21(15)25-18-10-8-14(12-20(18)31-2)27-32(3,29)30/h4-12,27H,1-3H3,(H2,24,28)(H,25,26)

Experimental Macro pKa Values

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