pKahub
About
Molecules
Datasets
Molecule ID:
mol31102
SMILES:
OCC(F)(F)CO
InChI:
InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.00
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization