pKahub
About
Molecules
Datasets
Molecule ID:
mol8828
SMILES:
NN(Cl)c1ccccc1
InChI:
InChI=1S/C6H7ClN2/c7-9(8)6-4-2-1-3-5-6/h1-5H,8H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.65
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization