pKahub
About
Molecules
Datasets
Molecule ID:
mol25538
SMILES:
Brc1nn[nH]c1Br
InChI:
InChI=1S/C2HBr2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.37
AttenGpKa training set
0 » -1
5.37
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization