Molecule ID: mol36903

SMILES: CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5[N+](C)(C)[C@@H]4CC1)[C@H]32

InChI: InChI=1S/C22H33N2O/c1-5-21-11-7-14-23-15-13-22(20(21)23)16-8-6-9-17(25-4)19(16)24(2,3)18(22)10-12-21/h6,8-9,18,20H,5,7,10-15H2,1-4H3/q+1/t18-,20-,21-,22-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.13 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization