Molecule ID: mol37089

SMILES: N#CC(C#N)C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1

InChI: InChI=1S/C14H14N4O3/c15-9-12(10-16)14(17-5-7-21-8-6-17)11-1-3-13(4-2-11)18(19)20/h1-4,12,14H,5-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization