pKahub
About
Molecules
Datasets
Molecule ID:
mol6834
SMILES:
Brc1c[nH]nc1Br
InChI:
InChI=1S/C3H2Br2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-1.83
AttenGpKa training set
1 » 0
-1.83
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization