pKahub
About
Molecules
Datasets
Molecule ID:
mol25250
SMILES:
Clc1nc[nH]n1
InChI:
InChI=1S/C2H2ClN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.06
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization