pKahub
About
Molecules
Datasets
Molecule ID:
mol8917
SMILES:
O=[N+]([O-])C(F)F
InChI:
InChI=1S/CHF2NO2/c2-1(3)4(5)6/h1H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
12.40
IUPAC digitized pKa
0 » -1
12.40
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization