Molecule ID: mol33022

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

InChI: InChI=1S/C4H5ClO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,(H,7,8)(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization