pKahub
About
Molecules
Datasets
Molecule ID:
mol9280
SMILES:
CC(=NO)C(=O)CBr
InChI:
InChI=1S/C4H6BrNO2/c1-3(6-8)4(7)2-5/h8H,2H2,1H3
Experimental Macro pKa Values
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SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.75
IUPAC digitized pKa
0 » -1
8.75
QSARToolbox
0 » -1
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MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization