Molecule ID: mol6428

SMILES: Clc1cccc(Cl)n1

InChI: InChI=1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-3.13 AttenGpKa training set 1 » 0
-2.86 Organic Oxygen Acids and Nitrogen Bases 1 » 0
-2.86 OCHEM 1 » 0
-2.86 OCHEM 1 » 0
-2.86 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization