Molecule ID: mol22573

SMILES: C[C@]1(C(=O)O)C[C@@]1(Cl)C(=O)O

InChI: InChI=1S/C6H7ClO4/c1-5(3(8)9)2-6(5,7)4(10)11/h2H2,1H3,(H,8,9)(H,10,11)/t5-,6-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.95 AttenGpKa training set 0 » -1
5.25 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization