pKahub
About
Molecules
Datasets
Molecule ID:
mol27834
SMILES:
CC(Cl)[N+](=O)[O-]
InChI:
InChI=1S/C2H4ClNO2/c1-2(3)4(5)6/h2H,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.80
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization