Molecule ID: mol22293

SMILES: CC(=O)C(C)(C)CC(=O)O

InChI: InChI=1S/C7H12O3/c1-5(8)7(2,3)4-6(9)10/h4H2,1-3H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization