Molecule ID: mol6017

SMILES: COc1ccc(N(CC[N+]2(C)CCCCC2)C2CCCCC2)cc1

InChI: InChI=1S/C21H35N2O/c1-23(16-7-4-8-17-23)18-15-22(19-9-5-3-6-10-19)20-11-13-21(24-2)14-12-20/h11-14,19H,3-10,15-18H2,1-2H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.87 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization