pKahub
About
Molecules
Datasets
Molecule ID:
mol27410
SMILES:
COC(=O)C[N+](=O)[O-]
InChI:
InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.56
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization