pKahub
About
Molecules
Datasets
Molecule ID:
mol24385
SMILES:
COC(CN)OC
InChI:
InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.35
QSARToolbox
1 » 0
8.70
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization