Molecule ID: mol36902

SMILES: O=C(OC1CCCCC1)c1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1

InChI: InChI=1S/C21H26N3O3/c25-21(27-20-9-2-1-3-10-20)19-8-5-12-24(17-19)14-6-13-23-11-4-7-18(16-23)15-22-26/h4-5,7-8,11-12,15-17,20H,1-3,6,9-10,13-14H2/q+1/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization