pKahub
About
Molecules
Datasets
Molecule ID:
mol16005
SMILES:
O=C1CCC(=O)C1
InChI:
InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.36
AttenGpKa training set
0 » -1
4.50
Datawarrior
0 » -1
4.50
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization