Molecule ID: mol20072

SMILES: COc1ccc(C(=O)N[C@@H]2CCC[C@@H]3CCN(C)C[C@@H]32)cc1

InChI: InChI=1S/C18H26N2O2/c1-20-11-10-13-4-3-5-17(16(13)12-20)19-18(21)14-6-8-15(22-2)9-7-14/h6-9,13,16-17H,3-5,10-12H2,1-2H3,(H,19,21)/t13-,16+,17-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.19 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization