Molecule ID: mol6452

SMILES: COc1cccc(=O)[nH]1

InChI: InChI=1S/C6H7NO2/c1-9-6-4-2-3-5(8)7-6/h2-4H,1H3,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization