Molecule ID: mol20069

SMILES: CN1CC[C@H]2CCC[C@@H](NC(=O)c3ccccc3)[C@@H]2C1

InChI: InChI=1S/C17H24N2O/c1-19-11-10-13-8-5-9-16(15(13)12-19)18-17(20)14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3,(H,18,20)/t13-,15-,16-/m1/s1

Experimental Macro pKa Values

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