Molecule ID: SM15

SMILES: Oc1ccc(-n2cnc3ccccc32)cc1

InChI: InChI=1S/C13H10N2O/c16-11-7-5-10(6-8-11)15-9-14-12-3-1-2-4-13(12)15/h1-9,16H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.70 SAMPL6 1 » 0
8.94 SAMPL6 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization