Molecule ID: mol6726

SMILES: Clc1noc(-c2ccccc2)c1Cl

InChI: InChI=1S/C9H5Cl2NO/c10-7-8(13-12-9(7)11)6-4-2-1-3-5-6/h1-5H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-7.66 IUPAC digitized pKa 1 » 0
-7.66 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization