Molecule ID: mol4610

SMILES: Clc1ccc2cncnc2c1

InChI: InChI=1S/C8H5ClN2/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.25 QSARToolbox 1 » 0
3.29 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization