Molecule ID: mol36900

SMILES: O=C(NC1CCCCC1)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1

InChI: InChI=1S/C21H26N4O2/c26-21(23-20-9-2-1-3-10-20)19-8-5-12-25(17-19)14-6-13-24-11-4-7-18(16-24)15-22-27/h4-5,7-8,11-12,15-17,20H,1-3,6,9-10,13-14H2/p+2

Experimental Macro pKa Values

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