Molecule ID: mol10034

SMILES: O=C(O)c1cc(Cl)ccc1Cl

InChI: InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization