Molecule ID: mol31101

SMILES: OC(O)=C1C=CC=C1

InChI: InChI=1S/C6H6O2/c7-6(8)5-3-1-2-4-5/h1-4,7-8H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.30 AttenGpKa training set 0 » -1
8.70 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization