Molecule ID: mol22431

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

InChI: InChI=1S/C3H3Cl3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.33 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization