pKahub
About
Molecules
Datasets
Molecule ID:
mol27829
SMILES:
C=CCN[N+](=O)[O-]
InChI:
InChI=1S/C3H6N2O2/c1-2-3-4-5(6)7/h2,4H,1,3H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.95
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization