Molecule ID: mol25120

SMILES: c1ccc(-c2ccc(-c3ccncc3)o2)nc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization