Molecule ID: SM12

SMILES: Cl.Clc1cccc(Nc2ncnc3ccccc23)c1

InChI: InChI=1S/C14H10ClN3.ClH/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14;/h1-9H,(H,16,17,18);1H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization