Molecule ID: mol36884

SMILES: NC(=O)c1cc[n+](CCC[n+]2cccc(C=NO)c2)cc1

InChI: InChI=1S/C15H16N4O2/c16-15(20)14-4-9-18(10-5-14)7-2-8-19-6-1-3-13(12-19)11-17-21/h1,3-6,9-12H,2,7-8H2,(H-2,16,20,21)/p+2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.14 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization