Molecule ID: mol11753

SMILES: O=C1C(Cl)=CC(=Nc2ccc(O)c(Cl)c2)C=C1Cl

InChI: InChI=1S/C12H6Cl3NO2/c13-8-3-6(1-2-11(8)17)16-7-4-9(14)12(18)10(15)5-7/h1-5,17H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization