pKahub
About
Molecules
Datasets
Molecule ID:
mol31117
SMILES:
CCOC(O)OCC
InChI:
InChI=1S/C5H12O3/c1-3-7-5(6)8-4-2/h5-6H,3-4H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.48
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization