pKahub
About
Molecules
Datasets
Molecule ID:
mol9207
SMILES:
CCC(=O)C=NO
InChI:
InChI=1S/C4H7NO2/c1-2-4(6)3-5-7/h3,7H,2H2,1H3
Experimental Macro pKa Values
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SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.37
QSARToolbox
0 » -1
8.37
OCHEM
0 » -1
8.37
IUPAC digitized pKa
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization