pKahub
About
Molecules
Datasets
Molecule ID:
mol31337
SMILES:
OOC1CC1
InChI:
InChI=1S/C3H6O2/c4-5-3-1-2-3/h3-4H,1-2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.20
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization