Molecule ID: mol25185

SMILES: O[n+]1cc(Cl)cc(Cl)c1

InChI: InChI=1S/C5H4Cl2NO/c6-4-1-5(7)3-8(9)2-4/h1-3,9H/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.94 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization