pKahub
About
Molecules
Datasets
Molecule ID:
mol31488
SMILES:
C/C(N=O)=N\O
InChI:
InChI=1S/C2H4N2O2/c1-2(3-5)4-6/h5H,1H3/b3-2+
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.81
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization