pKahub
About
Molecules
Datasets
Molecule ID:
mol27818
SMILES:
O=[N+]([O-])CF
InChI:
InChI=1S/CH2FNO2/c2-1-3(4)5/h1H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.55
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization