pKahub
About
Molecules
Datasets
Molecule ID:
mol31365
SMILES:
OOC(Cl)C(F)(F)F
InChI:
InChI=1S/C2H2ClF3O2/c3-1(8-7)2(4,5)6/h1,7H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.90
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization