Molecule ID: mol3332

SMILES: Clc1ccc(C=Nc2ccccc2)cc1

InChI: InChI=1S/C13H10ClN/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-10H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization