Molecule ID: mol34235

SMILES: COc1ccc2c(c1OC)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3

InChI: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.89 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization