pKahub
About
Molecules
Datasets
Molecule ID:
mol15832
SMILES:
Clc1nnn[nH]1
InChI:
InChI=1S/CHClN4/c2-1-3-5-6-4-1/h(H,3,4,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.07
OCHEM
0 » -1
2.07
Datawarrior
0 » -1
2.07
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization