Molecule ID: mol4611

SMILES: Clc1cccc2cncnc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization