Molecule ID: mol6562

SMILES: CCOc1nc(Cl)c(Cl)c(Cl)c1Cl

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.72 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization