Molecule ID: mol27260

SMILES: O=C(NCO)c1ccc(Cl)c(Cl)c1

InChI: InChI=1S/C8H7Cl2NO2/c9-6-2-1-5(3-7(6)10)8(13)11-4-12/h1-3,12H,4H2,(H,11,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.90 QSARToolbox -1 » -2
12.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization