pKahub
About
Molecules
Datasets
Molecule ID:
mol5281
SMILES:
NCS(=O)(=O)O
InChI:
InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.75
IUPAC digitized pKa
0 » -1
5.75
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization