Molecule ID: mol2264

SMILES: O=C(O)COc1cc(Cl)c(Cl)cc1Cl

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.47 AttenGpKa training set 0 » -1
2.83 QSARToolbox 0 » -1
2.83 QSARToolbox 0 » -1
2.83 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.83 OCHEM 0 » -1
2.83 QSARToolbox 0 » -1
2.83 IUPAC digitized pKa 0 » -1
2.83 OCHEM 0 » -1
2.83 OCHEM 0 » -1
2.83 OCHEM 0 » -1
2.84 OCHEM 0 » -1
2.85 OCHEM 0 » -1
2.85 QSARToolbox 0 » -1
2.85 QSARToolbox 0 » -1
2.85 IUPAC digitized pKa 0 » -1
2.85 OCHEM 0 » -1
2.85 Hunt 0 » -1
4.15 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization