Molecule ID: mol37439

SMILES: COc1ccc(C[C@H](NC(=O)CN)C(=O)O)cc1

InChI: InChI=1S/C12H16N2O4/c1-18-9-4-2-8(3-5-9)6-10(12(16)17)14-11(15)7-13/h2-5,10H,6-7,13H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization