Molecule ID: mol36997

SMILES: CCCCCCCCCCCC[n+]1cc(CO)c(C=O)c(O)c1C

InChI: InChI=1S/C20H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-18(15-22)19(16-23)20(24)17(21)2/h14,16,22H,3-13,15H2,1-2H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization