pKahub
About
Molecules
Datasets
Molecule ID:
mol8975
SMILES:
ONCC(F)(F)F
InChI:
InChI=1S/C2H4F3NO/c3-2(4,5)1-6-7/h6-7H,1H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.30
IUPAC digitized pKa
0 » -1
11.30
AttenGpKa training set
0 » -1
11.80
IUPAC digitized pKa
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization