Molecule ID: mol25169

SMILES: O[n+]1ccccc1Cl

InChI: InChI=1S/C5H5ClNO/c6-5-3-1-2-4-7(5)8/h1-4,8H/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.77 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization