pKahub
About
Molecules
Datasets
Molecule ID:
mol27832
SMILES:
CC(C)N[N+](=O)[O-]
InChI:
InChI=1S/C3H8N2O2/c1-3(2)4-5(6)7/h3-4H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.50
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization