Molecule ID: mol10079

SMILES: O=C(O)c1ccc(I)cc1O

InChI: InChI=1S/C7H5IO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.73 IUPAC digitized pKa 0 » -1
2.73 IUPAC digitized pKa 0 » -1
2.74 IUPAC digitized pKa 0 » -1
2.74 IUPAC digitized pKa 0 » -1
2.75 IUPAC digitized pKa 0 » -1
2.75 OCHEM 0 » -1
2.75 QSARToolbox 0 » -1
2.75 QSARToolbox 0 » -1
2.76 IUPAC digitized pKa 0 » -1
2.83 QSARToolbox 0 » -1
2.83 AttenGpKa training set 0 » -1
11.90 AttenGpKa training set -1 » -2
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Charge States and Microspecies Visualization