Molecule ID: mol22321

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

InChI: InChI=1S/C4H4Cl2O2/c5-3(6)1-2-4(7)8/h1H,2H2,(H,7,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization