pKahub
About
Molecules
Datasets
Molecule ID:
mol12509
SMILES:
CC(=O)NOC(C)=O
InChI:
InChI=1S/C4H7NO3/c1-3(6)5-8-4(2)7/h1-2H3,(H,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.81
OCHEM
0 » -1
6.81
Datawarrior
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization