Molecule ID: mol19612

SMILES: Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCNC2=O

InChI: InChI=1S/C23H22N2O5S/c1-15-18(22-19(11-12-24-23(22)28)25(15)14-21(26)27)13-16-7-5-6-10-20(16)31(29,30)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,24,28)(H,26,27)

Experimental Macro pKa Values

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