pKahub
About
Molecules
Datasets
Molecule ID:
mol432
SMILES:
FC(F)(F)CS
InChI:
InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.30
OCHEM
0 » -1
7.30
Hunt
0 » -1
7.30
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization