Molecule ID: mol24534

SMILES: ClC12CCN(CC1)CC2

InChI: InChI=1S/C7H12ClN/c8-7-1-4-9(5-2-7)6-3-7/h1-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization