pKahub
About
Molecules
Datasets
Molecule ID:
mol15897
SMILES:
CCN(O)CC
InChI:
InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.62
OCHEM
1 » 0
5.62
Datawarrior
1 » 0
12.88
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization