Molecule ID: mol22559

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

InChI: InChI=1S/C8H12O4/c1-4-7(2,5(9)10)8(4,3)6(11)12/h4H,1-3H3,(H,9,10)(H,11,12)/t4-,7+,8-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization