Molecule ID: mol21346

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(CCC(N)=O)ccc12

InChI: InChI=1S/C24H24N4O4S/c1-32-22-14-16(28-33(2,30)31)9-11-20(22)27-24-17-5-3-4-6-19(17)26-21-13-15(7-10-18(21)24)8-12-23(25)29/h3-7,9-11,13-14,28H,8,12H2,1-2H3,(H2,25,29)(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization