Molecule ID: mol30586

SMILES: Oc1ccc(-c2ncccn2)cc1

InChI: InChI=1S/C10H8N2O/c13-9-4-2-8(3-5-9)10-11-6-1-7-12-10/h1-7,13H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization