pKahub
About
Molecules
Datasets
Molecule ID:
mol211
SMILES:
N#CC1CC(F)CN1
InChI:
InChI=1S/C5H7FN2/c6-4-1-5(2-7)8-3-4/h4-5,8H,1,3H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.00
OCHEM
1 » 0
4.00
AvLiLuMoVe
1 » 0
4.00
Settimo
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization