pKahub
About
Molecules
Datasets
Molecule ID:
mol15963
SMILES:
CCCN[N+](=O)[O-]
InChI:
InChI=1S/C3H8N2O2/c1-2-3-4-5(6)7/h4H,2-3H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.37
AttenGpKa training set
0 » -1
6.47
OCHEM
0 » -1
6.47
Datawarrior
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization