Molecule ID: mol19102

SMILES: C=CCc1cc(Oc2c(I)cc(CC(N)C(=O)O)cc2I)ccc1O

InChI: InChI=1S/C18H17I2NO4/c1-2-3-11-9-12(4-5-16(11)22)25-17-13(19)6-10(7-14(17)20)8-15(21)18(23)24/h2,4-7,9,15,22H,1,3,8,21H2,(H,23,24)

Experimental Macro pKa Values

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