Molecule ID: mol19089

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

InChI: InChI=1S/C18H19I2NO4/c1-9(2)12-8-11(3-4-16(12)22)25-17-13(19)5-10(6-14(17)20)7-15(21)18(23)24/h3-6,8-9,15,22H,7,21H2,1-2H3,(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.47 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization