Molecule ID: mol9028

SMILES: CC(=O)C=NO

InChI: InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.30 IUPAC digitized pKa 0 » -1
8.30 QSARToolbox 0 » -1
8.35 IUPAC digitized pKa 0 » -1
8.35 QSARToolbox 0 » -1
8.36 OCHEM 0 » -1
8.70 QSARToolbox 0 » -1
8.70 QSARToolbox 0 » -1
9.37 QSARToolbox 0 » -1
10.27 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization