pKahub
About
Molecules
Datasets
Molecule ID:
mol17444
SMILES:
CN(O)C(N)=O
InChI:
InChI=1S/C2H6N2O2/c1-4(6)2(3)5/h6H,1H3,(H2,3,5)
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.79
AttenGpKa training set
0 » -1
9.95
Baltruschat ChEMBL
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization