Molecule ID: mol32843

SMILES: N#CC(C#N)=Cc1ccc(O)cc1

InChI: InChI=1S/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization