pKahub
About
Molecules
Datasets
Molecule ID:
mol31487
SMILES:
O/N=C/C=N/O
InChI:
InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H/b3-1+,4-2+
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.02
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization