Molecule ID: mol26438

SMILES: O=c1[nH]c2cc(Cl)ccc2o1

InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization