Molecule ID: mol23236

SMILES: CCCC[N+](CCCC)(CCCC)Cc1ccc(C(=O)O)cc1

InChI: InChI=1S/C20H33NO2/c1-4-7-14-21(15-8-5-2,16-9-6-3)17-18-10-12-19(13-11-18)20(22)23/h10-13H,4-9,14-17H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization