Molecule ID: mol35394

SMILES: CCCCNC(c1ccccc1)(c1ccccc1)C([N+](=O)[O-])[N+](=O)[O-]

InChI: InChI=1S/C18H21N3O4/c1-2-3-14-19-18(15-10-6-4-7-11-15,16-12-8-5-9-13-16)17(20(22)23)21(24)25/h4-13,17,19H,2-3,14H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.91 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization