Molecule ID: mol6442

SMILES: O=Cc1cccc(C=O)n1

InChI: InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization