Molecule ID: mol13414

SMILES: Clc1cccc(Nc2ccccc2)c1

InChI: InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.42 AttenGpKa training set 1 » 0
2.34 OCHEM 1 » 0
2.34 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization