Molecule ID: mol38607

SMILES: CCOC(=O)C(C#N)=Cc1ccc(O)c(O)c1

InChI: InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)11(15)6-8/h3-6,14-15H,2H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.25 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization