Molecule ID: mol12402

SMILES: O/N=C\c1ccco1

InChI: InChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization