Molecule ID: mol25925

SMILES: Clc1cccc(-n2cnnn2)c1

InChI: InChI=1S/C7H5ClN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.73 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization