Molecule ID: mol4608

SMILES: Clc1cccc2ncncc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization