Molecule ID: mol10501

SMILES: O=C(O)COc1cc(Cl)ccc1Cl

InChI: InChI=1S/C8H6Cl2O3/c9-5-1-2-6(10)7(3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.94 IUPAC digitized pKa 0 » -1
2.94 OCHEM 0 » -1
2.94 QSARToolbox 0 » -1
2.94 QSARToolbox 0 » -1
4.33 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization