Molecule ID: mol36904

SMILES: CC[C@@]12CCC[N+]3(C)CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@@H]23

InChI: InChI=1S/C21H31N2O/c1-4-20-10-6-13-23(2)14-12-21(19(20)23)15-7-5-8-16(24-3)18(15)22-17(21)9-11-20/h5,7-8,17,19,22H,4,6,9-14H2,1-3H3/q+1/t17-,19-,20-,21-,23?/m1/s1

Experimental Macro pKa Values

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