Molecule ID: mol37875

SMILES: COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N+]1(C)CC2

InChI: InChI=1S/C20H23NO4/c1-21-7-6-13-9-19(25-3)17(22)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1/t16-,21?/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization