pKahub
About
Molecules
Datasets
Molecule ID:
mol31880
SMILES:
NCC(F)C(F)(F)F
InChI:
InChI=1S/C3H5F4N/c4-2(1-8)3(5,6)7/h2H,1,8H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.10
QSARToolbox
1 » 0
7.10
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization