Molecule ID: mol15329

SMILES: CN(C)CCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

InChI: InChI=1S/C19H22N4O2/c1-22(2)13-6-5-12-20-19-14-8-3-4-9-15(14)21-16-10-7-11-17(18(16)19)23(24)25/h3-4,7-11H,5-6,12-13H2,1-2H3,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization