pKahub
About
Molecules
Datasets
Molecule ID:
mol31381
SMILES:
OOC(Cl)(Cl)C(Cl)(Cl)Cl
InChI:
InChI=1S/C2HCl5O2/c3-1(4,5)2(6,7)9-8/h8H
Experimental Macro pKa Values
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JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.00
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization