pKahub
About
Molecules
Datasets
Molecule ID:
mol31387
SMILES:
NOC(N)=O
InChI:
InChI=1S/CH4N2O2/c2-1(4)5-3/h3H2,(H2,2,4)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.38
AttenGpKa training set
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization