pKahub
About
Molecules
Datasets
Molecule ID:
mol31357
SMILES:
O=C(O)C(Cl)OO
InChI:
InChI=1S/C2H3ClO4/c3-1(7-6)2(4)5/h1,6H,(H,4,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.80
AttenGpKa training set
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization