Molecule ID: mol19096

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

InChI: InChI=1S/C17H15I2NO5/c1-8(21)11-7-10(2-3-15(11)22)25-16-12(18)4-9(5-13(16)19)6-14(20)17(23)24/h2-5,7,14,22H,6,20H2,1H3,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization