pKahub
About
Molecules
Datasets
Molecule ID:
mol8972
SMILES:
ON=CC(Cl)=NO
InChI:
InChI=1S/C2H3ClN2O2/c3-2(5-7)1-4-6/h1,6-7H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.24
OCHEM
0 » -1
8.24
Datawarrior
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization