Molecule ID: mol24522

SMILES: CC(C)C=[N+]1CCOCC1

InChI: InChI=1S/C8H16NO/c1-8(2)7-9-3-5-10-6-4-9/h7-8H,3-6H2,1-2H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization