pKahub
About
Molecules
Datasets
Molecule ID:
mol31344
SMILES:
OOC(F)(F)F
InChI:
InChI=1S/CHF3O2/c2-1(3,4)6-5/h5H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.40
QSARToolbox
0 » -1
7.65
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization