pKahub
About
Molecules
Datasets
Molecule ID:
mol21063
SMILES:
NC(=O)C(F)(F)F
InChI:
InChI=1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.36
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization