Molecule ID: mol22586

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

InChI: InChI=1S/C9H14O4/c1-3-8(6(10)11)5-9(8,4-2)7(12)13/h3-5H2,1-2H3,(H,10,11)(H,12,13)/t8-,9-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization