pKahub
About
Molecules
Datasets
Molecule ID:
mol15857
SMILES:
O=C(CCl)CCl
InChI:
InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.00
Datawarrior
0 » -1
11.00
OCHEM
0 » -1
11.96
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization