Molecule ID: mol35814

SMILES: Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1

InChI: InChI=1S/C16H17N3O4/c1-11-4-2-6-13(17-11)14-7-3-5-12(18-14)8-19(9-15(20)21)10-16(22)23/h2-7H,8-10H2,1H3,(H,20,21)(H,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization