Molecule ID: mol4396

SMILES: Clc1ccc2c(Cl)ccnc2c1

InChI: InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H

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 Organic Oxygen Acids and Nitrogen Bases 1 » 0
2.80 OCHEM 1 » 0
2.80 OCHEM 1 » 0
2.80 OCHEM 1 » 0
2.80 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization