Molecule ID: mol37822

SMILES: CN1C[C@@H]2[C@H](C1)[C@]2(CN)N1CCN([C@]2(CN)[C@@H]3CN(C)C[C@@H]32)CC1

InChI: InChI=1S/C18H34N6/c1-21-7-13-14(8-21)17(13,11-19)23-3-5-24(6-4-23)18(12-20)15-9-22(2)10-16(15)18/h13-16H,3-12,19-20H2,1-2H3/t13-,14+,15-,16+,17-,18-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.42 QSARToolbox 4 » 3
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Charge States and Microspecies Visualization