Molecule ID: mol12407

SMILES: Oc1cccc[n+]1O

InChI: InChI=1S/C5H5NO2/c7-5-3-1-2-4-6(5)8/h1-4,8H/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.85 AttenGpKa training set 1 » 0
-0.71 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization