Molecule ID: mol22461

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

InChI: InChI=1S/C5H7Cl3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization