Molecule ID: mol15328

SMILES: Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12

InChI: InChI=1S/C19H22N4O2/c1-13-9-10-16(23(24)25)17-18(13)21-15-8-5-4-7-14(15)19(17)20-11-6-12-22(2)3/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,21)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.29 QSARToolbox 2 » 1
6.29 Datawarrior 2 » 1
6.29 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization