Molecule ID: mol26030

SMILES: Clc1cccc(-n2nnnc2-c2ccccc2)c1

InChI: InChI=1S/C13H9ClN4/c14-11-7-4-8-12(9-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.20 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization