pKahub
About
Molecules
Datasets
Molecule ID:
mol12339
SMILES:
O=C1CCC(Cl)C1=O
InChI:
InChI=1S/C5H5ClO2/c6-3-1-2-4(7)5(3)8/h3H,1-2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.05
Datawarrior
0 » -1
7.05
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization