Molecule ID: mol34609

SMILES: COc1ccc(C=Nc2ccc(C(=O)NCC(=O)O)cc2)cc1

InChI: InChI=1S/C17H16N2O4/c1-23-15-8-2-12(3-9-15)10-18-14-6-4-13(5-7-14)17(22)19-11-16(20)21/h2-10H,11H2,1H3,(H,19,22)(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization