Molecule ID: mol37751

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

InChI: InChI=1S/C12H16N2O4/c13-9(6-8-4-2-1-3-5-8)11(16)14-10(7-15)12(17)18/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.02 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization