Molecule ID: mol25057

SMILES: ClCc1ccncc1

InChI: InChI=1S/C6H6ClN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.33 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization