Molecule ID: mol13639

SMILES: CO[n+]1ccccc1O

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.30 Datawarrior 1 » 0
-1.30 OCHEM 1 » 0
-1.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization