Molecule ID: mol9307

SMILES: CCC#CC(=O)O

InChI: InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2H2,1H3,(H,6,7)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.60 OCHEM 0 » -1
2.60 QSARToolbox 0 » -1
2.60 Datawarrior 0 » -1
2.60 OCHEM 0 » -1
2.60 AttenGpKa training set 0 » -1
2.61 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization