Molecule ID: mol19097

SMILES: CC(C)(C)c1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O

InChI: InChI=1S/C19H21I2NO4/c1-19(2,3)12-9-11(4-5-16(12)23)26-17-13(20)6-10(7-14(17)21)8-15(22)18(24)25/h4-7,9,15,23H,8,22H2,1-3H3,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.62 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization