Molecule ID: euroSAMPL-13

SMILES: Oc1ccc(-c2nnco2)cc1

InChI: InChI=1S/C8H6N2O2/c11-7-3-1-6(2-4-7)8-10-9-5-12-8/h1-5,11H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.15 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization