Molecule ID: mol10942

SMILES: Cc1c(C#N)cccc1C(=O)O

InChI: InChI=1S/C9H7NO2/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4H,1H3,(H,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.16 OCHEM 0 » -1
3.16 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization