Molecule ID: mol6563

SMILES: CCOc1c(Cl)c(Cl)nc(Cl)c1Cl

InChI: InChI=1S/C7H5Cl4NO/c1-2-13-5-3(8)6(10)12-7(11)4(5)9/h2H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.50 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization