pKahub
About
Molecules
Datasets
Molecule ID:
mol30498
SMILES:
Oc1ccc(F)cc1F
InChI:
InChI=1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.50
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization