Molecule ID: mol24794

SMILES: CC[N+](O)(CC)c1cccc(C)c1

InChI: InChI=1S/C11H18NO/c1-4-12(13,5-2)11-8-6-7-10(3)9-11/h6-9,13H,4-5H2,1-3H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization