Molecule ID: mol18918

SMILES: COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N)n2)c(OC)c1

InChI: InChI=1S/C18H22N2O6S/c1-23-13-9-16(25-3)14(17(10-13)26-4)7-8-27(21,22)11-12-5-6-15(24-2)18(19)20-12/h5-10H,11H2,1-4H3,(H2,19,20)/b8-7+

Experimental Macro pKa Values

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