Molecule ID: mol36995

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

InChI: InChI=1S/C19H22N4O3/c1-15(2)9-20-19(25)17-6-4-8-23(12-17)14-18(24)13-22-7-3-5-16(11-22)10-21-26/h3-8,10-12,15H,9,13-14H2,1-2H3/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization