Molecule ID: mol10487

SMILES: O=C(O)COc1ccc(Cl)c(Cl)c1Cl

InChI: InChI=1S/C8H5Cl3O3/c9-4-1-2-5(8(11)7(4)10)14-3-6(12)13/h1-2H,3H2,(H,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.60 QSARToolbox 0 » -1
2.60 QSARToolbox 0 » -1
2.60 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization