pKahub
About
Molecules
Datasets
Molecule ID:
mol27855
SMILES:
O=[N+]([O-])CBr
InChI:
InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.20
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization