Molecule ID: mol21566

SMILES: O=C(O)CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12

InChI: InChI=1S/C19H23NO6/c21-16-6-5-14-13(3-1-2-4-17(22)23)11-18(24)26-19(14)15(16)12-20-7-9-25-10-8-20/h5-6,11,21H,1-4,7-10,12H2,(H,22,23)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.80 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization