Molecule ID: mol25119

SMILES: c1ccc(-c2ccc(-c3cccnc3)o2)nc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization