Molecule ID: mol21524

SMILES: CCOc1ccc(C(=O)c2ccc3n2CCC3C(=O)O)cc1

InChI: InChI=1S/C17H17NO4/c1-2-22-12-5-3-11(4-6-12)16(19)15-8-7-14-13(17(20)21)9-10-18(14)15/h3-8,13H,2,9-10H2,1H3,(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.46 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization