pKahub
About
Molecules
Datasets
Molecule ID:
mol15870
SMILES:
N#CC[N+](=O)[O-]
InChI:
InChI=1S/C2H2N2O2/c3-1-2-4(5)6/h2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.63
AttenGpKa training set
0 » -1
4.86
Datawarrior
0 » -1
4.86
OCHEM
0 » -1
4.86
QSARToolbox
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization