Molecule ID: mol4609

SMILES: Clc1ccc2ncncc2c1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.53 QSARToolbox 1 » 0
3.55 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization