Molecule ID: mol37045

SMILES: O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)NC2CCCCC2)c1

InChI: InChI=1S/C21H24N4O3/c26-20(15-24-10-4-6-17(13-24)12-22-28)16-25-11-5-7-18(14-25)21(27)23-19-8-2-1-3-9-19/h4-7,10-14,19H,1-3,8-9,15-16H2/p+2

Experimental Macro pKa Values

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