Molecule ID: mol24663

SMILES: ICC12CCN(CC1)CC2

InChI: InChI=1S/C8H14IN/c9-7-8-1-4-10(5-2-8)6-3-8/h1-7H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization