Molecule ID: mol16039

SMILES: O[n+]1ccccc1

InChI: InChI=1S/C5H6NO/c7-6-4-2-1-3-5-6/h1-5,7H/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization