pKahub
About
Molecules
Datasets
Molecule ID:
mol31088
SMILES:
CN(C)C(O)O
InChI:
InChI=1S/C3H9NO2/c1-4(2)3(5)6/h3,5-6H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.87
AttenGpKa training set
1 » 0
12.73
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization