pKahub
About
Molecules
Datasets
Molecule ID:
mol27836
SMILES:
N#CCCN[N+](=O)[O-]
InChI:
InChI=1S/C3H5N3O2/c4-2-1-3-5-6(7)8/h5H,1,3H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.21
QSARToolbox
0 » -1
5.24
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization