Molecule ID: mol714

SMILES: CCC(=O)OO

InChI: InChI=1S/C3H6O3/c1-2-3(4)6-5/h5H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization