pKahub
About
Molecules
Datasets
Molecule ID:
mol24382
SMILES:
NC(CO)CF
InChI:
InChI=1S/C3H8FNO/c4-1-3(5)2-6/h3,6H,1-2,5H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.45
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization