pKahub
About
Molecules
Datasets
Molecule ID:
mol190
SMILES:
FC1CCNC1
InChI:
InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.40
OCHEM
1 » 0
9.40
AvLiLuMoVe
1 » 0
9.40
Settimo
1 » 0
9.40
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization