pKahub
About
Molecules
Datasets
Molecule ID:
mol3074
SMILES:
CC(=O)N(C)C
InChI:
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-0.28
AttenGpKa training set
1 » 0
-0.19
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization