Molecule ID: mol16826

SMILES: C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1

InChI: InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.20 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization