Molecule ID: mol15373

SMILES: CN(C)CCCCNc1ccnc2cccc([N+](=O)[O-])c12

InChI: InChI=1S/C15H20N4O2/c1-18(2)11-4-3-9-16-13-8-10-17-12-6-5-7-14(15(12)13)19(20)21/h5-8,10H,3-4,9,11H2,1-2H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization