Molecule ID: mol22429

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

InChI: InChI=1S/C4H5Cl3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization