Molecule ID: mol36837

SMILES: CCCCCCCCCCCC[N+](C)(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C22H37N3O3/c1-4-5-6-7-8-9-10-11-12-13-18-25(2,3)19-22(26)23-20-14-16-21(17-15-20)24(27)28/h14-17H,4-13,18-19H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization