Molecule ID: mol24575

SMILES: C1CCC(=[N+]2CCOCC2)CC1

InChI: InChI=1S/C10H18NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H2/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization