Molecule ID: mol11730

SMILES: COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CN

InChI: InChI=1S/C12H15N3O6/c1-21-12(18)8(14-11(17)6-13)4-7-2-3-10(16)9(5-7)15(19)20/h2-3,5,8,16H,4,6,13H2,1H3,(H,14,17)/t8-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.50 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization