Molecule ID: mol11173

SMILES: O=c1c(O)c(-c2ccc(O)cc2)c1=O

InChI: InChI=1S/C10H6O4/c11-6-3-1-5(2-4-6)7-8(12)10(14)9(7)13/h1-4,11-12H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization