Molecule ID: mol36899

SMILES: O=C(NC1CCCC1)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1

InChI: InChI=1S/C20H24N4O2/c25-20(22-19-8-1-2-9-19)18-7-4-11-24(16-18)13-5-12-23-10-3-6-17(15-23)14-21-26/h3-4,6-7,10-11,14-16,19H,1-2,5,8-9,12-13H2/p+2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.71 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization