Molecule ID: mol12189

SMILES: CCN(CC)C(=O)C1CCCN(Cc2cccc([N+](=O)[O-])c2)C1

InChI: InChI=1S/C17H25N3O3/c1-3-19(4-2)17(21)15-8-6-10-18(13-15)12-14-7-5-9-16(11-14)20(22)23/h5,7,9,11,15H,3-4,6,8,10,12-13H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization