Molecule ID: mol36992

SMILES: C1=Cc2nc1c(CCCCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCCCC[n+]1ccccc1)c1nc(c(CCCCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCCCC[n+]2ccccc2)C=C1

InChI: InChI=1S/C68H86N8/c1(9-21-45-73-49-25-13-26-50-73)5-17-33-57-61-37-39-63(69-61)58(34-18-6-2-10-22-46-74-51-27-14-28-52-74)65-41-43-67(71-65)60(36-20-8-4-12-24-48-76-55-31-16-32-56-76)68-44-42-66(72-68)59(64-40-38-62(57)70-64)35-19-7-3-11-23-47-75-53-29-15-30-54-75/h13-16,25-32,37-44,49-56,69,72H,1-12,17-24,33-36,45-48H2/q+4

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.00 QSARToolbox 5 » 4
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Charge States and Microspecies Visualization