Molecule ID: mol12405

SMILES: O=c1cc[nH]cc1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.60 OCHEM 1 » 0
3.60 Datawarrior 1 » 0
9.60 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization