pKahub
About
Molecules
Datasets
Molecule ID:
mol6678
SMILES:
Sc1ncc[nH]1
InChI:
InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
Experimental Macro pKa Values
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SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-1.60
IUPAC digitized pKa
1 » 0
11.60
IUPAC digitized pKa
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization