Molecule ID: mol37395

SMILES: O=C(C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCO)OCc1ccccc1

InChI: InChI=1S/C21H24N2O6/c24-12-11-22-20(26)18(13-19(25)28-14-16-7-3-1-4-8-16)23-21(27)29-15-17-9-5-2-6-10-17/h1-10,18,24H,11-15H2,(H,22,26)(H,23,27)/t18-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization