pKahub
About
Molecules
Datasets
Molecule ID:
mol2266
SMILES:
OCCC(F)F
InChI:
InChI=1S/C3H6F2O/c4-3(5)1-2-6/h3,6H,1-2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
12.74
OCHEM
0 » -1
12.74
Hunt
0 » -1
12.74
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization