pKahub
About
Molecules
Datasets
Molecule ID:
mol24529
SMILES:
FC1(F)CNCC1(F)F
InChI:
InChI=1S/C4H5F4N/c5-3(6)1-9-2-4(3,7)8/h9H,1-2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.05
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization