Molecule ID: mol4376

SMILES: Clc1cnc2ccccc2c1

InChI: InChI=1S/C9H6ClN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.63 IUPAC digitized pKa 1 » 0
2.63 OCHEM 1 » 0
2.63 AttenGpKa training set 1 » 0
2.63 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization