Molecule ID: mol37849

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

InChI: InChI=1S/C18H22N3O3/c1-15(2)24-18(22)17-7-4-9-21(14-17)11-5-10-20-8-3-6-16(13-20)12-19-23/h3-4,6-9,12-15H,5,10-11H2,1-2H3/q+1/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization