Molecule ID: mol14116

SMILES: OC(O)=C(O)c1ccccc1

InChI: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,9-11H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.39 QSARToolbox -1 » -2
6.39 QSARToolbox -1 » -2
6.39 Datawarrior -1 » -2
6.62 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization