pKahub
About
Molecules
Datasets
Molecule ID:
mol28233
SMILES:
Sc1ccccc1Br
InChI:
InChI=1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.66
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization