Molecule ID: mol13667

SMILES: ONc1ccc(Cl)cc1

InChI: InChI=1S/C6H6ClNO/c7-5-1-3-6(8-9)4-2-5/h1-4,8-9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization