Molecule ID: mol37603

SMILES: O=C1C=CN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1

InChI: InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14-,15+/m0/s1

Experimental Macro pKa Values

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