pKahub
About
Molecules
Datasets
Molecule ID:
mol20571
SMILES:
N=C(N)N[N+](=O)[O-]
InChI:
InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
0.32
AttenGpKa training set
1 » 0
12.20
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization