pKahub
About
Molecules
Datasets
Molecule ID:
mol15917
SMILES:
CN[N+](=O)[O-]
InChI:
InChI=1S/CH4N2O2/c1-2-3(4)5/h2H,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.25
Datawarrior
0 » -1
6.25
OCHEM
0 » -1
6.33
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization