pKahub
About
Molecules
Datasets
Molecule ID:
mol31080
SMILES:
C=C(O)OCC
InChI:
InChI=1S/C4H8O2/c1-3-6-4(2)5/h5H,2-3H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.10
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization