Molecule ID: mol18917

SMILES: COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(N)c2)c(OC)c1

InChI: InChI=1S/C18H22N2O6S/c1-23-13-8-16(24-2)14(17(9-13)25-3)5-6-27(21,22)11-12-7-15(19)18(26-4)20-10-12/h5-10H,11,19H2,1-4H3/b6-5+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.39 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization