Molecule ID: mol37401

SMILES: O=C(O)C[C@H](NC(=O)CNC(=O)c1ccccc1O)C(=O)O

InChI: InChI=1S/C13H14N2O7/c16-9-4-2-1-3-7(9)12(20)14-6-10(17)15-8(13(21)22)5-11(18)19/h1-4,8,16H,5-6H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t8-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization