Molecule ID: mol37621

SMILES: CN1C[C@@H](C(=O)O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21

InChI: InChI=1S/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)/t10-,12-,14+/m0/s1

Experimental Macro pKa Values

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