Molecule ID: mol37075

SMILES: COc1cc(C=Nc2ccc(C(=O)NCC(=O)O)cc2)ccc1O

InChI: InChI=1S/C17H16N2O5/c1-24-15-8-11(2-7-14(15)20)9-18-13-5-3-12(4-6-13)17(23)19-10-16(21)22/h2-9,20H,10H2,1H3,(H,19,23)(H,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.22 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization