Molecule ID: mol35120

SMILES: C[C@]12CC(=O)N[C@@]1(CCC(=O)O)C(=O)NC2=O

InChI: InChI=1S/C10H12N2O5/c1-9-4-5(13)12-10(9,3-2-6(14)15)8(17)11-7(9)16/h2-4H2,1H3,(H,12,13)(H,14,15)(H,11,16,17)/t9-,10+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization