pKahub
About
Molecules
Datasets
Molecule ID:
mol6588
SMILES:
Brc1cc(Br)nc(Br)c1
InChI:
InChI=1S/C5H2Br3N/c6-3-1-4(7)9-5(8)2-3/h1-2H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-3.36
OCHEM
1 » 0
-3.36
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization