Molecule ID: mol4612

SMILES: Clc1cc(Cl)c2ncncc2c1

InChI: InChI=1S/C8H4Cl2N2/c9-6-1-5-3-11-4-12-8(5)7(10)2-6/h1-4H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization