Molecule ID: mol37810

SMILES: O=C1[C@H]2C[C@H](CN3CCCC[C@H]23)C2=CCCCN12

InChI: InChI=1S/C15H22N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h5,11-12,14H,1-4,6-10H2/t11-,12+,14-/m1/s1

Experimental Macro pKa Values

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