Molecule ID: mol24258

SMILES: COC1=CC(=O)CC=C1CN

InChI: InChI=1S/C8H11NO2/c1-11-8-4-7(10)3-2-6(8)5-9/h2,4H,3,5,9H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.01 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization