pKahub
About
Molecules
Datasets
Molecule ID:
mol31352
SMILES:
CC(C)(O)OON=O
InChI:
InChI=1S/C3H7NO4/c1-3(2,5)7-8-4-6/h5H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.80
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization