pKahub
About
Molecules
Datasets
Molecule ID:
mol25248
SMILES:
Cn1cnc(F)c1
InChI:
InChI=1S/C4H5FN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
1.90
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization