Molecule ID: mol35166

SMILES: CCC1(CC)C(=O)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O

InChI: InChI=1S/C15H17N3O5/c1-3-15(4-2)12(19)16-14(21)17(13(15)20)9-10-5-7-11(8-6-10)18(22)23/h5-8H,3-4,9H2,1-2H3,(H,16,19,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization