Molecule ID: mol22365

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

InChI: InChI=1S/C5H6Cl2O2/c6-4(7)2-1-3-5(8)9/h2H,1,3H2,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization