Molecule ID: mol21336

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2c(OCC(O)CO)cccc12

InChI: InChI=1S/C24H24IN3O6S/c1-33-22-11-15(28-35(2,31)32)7-9-19(22)26-23-17-8-6-14(25)10-20(17)27-24-18(23)4-3-5-21(24)34-13-16(30)12-29/h3-11,16,28-30H,12-13H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization