Molecule ID: mol36759

SMILES: C=CC(=O)NC(O)C(Cl)(Cl)Cl

InChI: InChI=1S/C5H6Cl3NO2/c1-2-3(10)9-4(11)5(6,7)8/h2,4,11H,1H2,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization