Molecule ID: mol22205

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

InChI: InChI=1S/C5H4O2/c1-2-3-4-5(6)7/h2H,1H2,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization