pKahub
About
Molecules
Datasets
Molecule ID:
mol24511
SMILES:
FC12CCN(CC1)CC2
InChI:
InChI=1S/C7H12FN/c8-7-1-4-9(5-2-7)6-3-7/h1-6H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.55
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization