Molecule ID: mol37408

SMILES: O=C(CNC(=O)c1ccccc1)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O

InChI: InChI=1S/C21H22N2O6/c24-18(13-22-20(26)16-9-5-2-6-10-16)23-17(21(27)28)11-12-19(25)29-14-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,22,26)(H,23,24)(H,27,28)/t17-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization