Molecule ID: mol37812

SMILES: COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3N1CC2

InChI: InChI=1S/C17H24N2O2/c1-20-15-10-12-5-9-19-14(13(12)11-16(15)21-2)6-8-18-7-3-4-17(18)19/h10-11,14,17H,3-9H2,1-2H3/t14-,17-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.50 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization