Molecule ID: mol22342

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

InChI: InChI=1S/C8H14O3/c1-8(2,3)6(9)4-5-7(10)11/h4-5H2,1-3H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization