pKahub
About
Molecules
Datasets
Molecule ID:
mol31364
SMILES:
OOC(Cl)(Cl)Cl
InChI:
InChI=1S/CHCl3O2/c2-1(3,4)6-5/h5H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.70
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization