Molecule ID: mol36749

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

InChI: InChI=1S/C4H5Cl3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.00 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization