pKahub
About
Molecules
Datasets
Molecule ID:
mol31128
SMILES:
CC(O)(O)C(F)(F)F
InChI:
InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3
Experimental Macro pKa Values
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JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.40
QSARToolbox
0 » -1
10.44
QSARToolbox
0 » -1
10.45
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization