Molecule ID: mol20075

SMILES: COc1cc(C(=O)N[C@@H]2CCC[C@@H]3CCN(C)C[C@H]32)cc(OC)c1OC

InChI: InChI=1S/C20H30N2O4/c1-22-9-8-13-6-5-7-16(15(13)12-22)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,21,23)/t13-,15-,16-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization