Molecule ID: mol13043

SMILES: O/N=C/c1ccc(O)cc1

InChI: InChI=1S/C7H7NO2/c9-7-3-1-6(2-4-7)5-8-10/h1-5,9-10H/b8-5+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.78 Datawarrior 0 » -1
8.79 AttenGpKa training set 0 » -1
11.97 Datawarrior -1 » -2
11.97 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization