Molecule ID: mol34234

SMILES: CNC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21

InChI: InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization