Molecule ID: mol3777

SMILES: c1ccc(-c2cnc(-c3ccccn3)o2)cc1

InChI: InChI=1S/C14H10N2O/c1-2-6-11(7-3-1)13-10-16-14(17-13)12-8-4-5-9-15-12/h1-10H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.31 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization