Molecule ID: mol19994

SMILES: CC(C)N(CCNC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C

InChI: InChI=1S/C18H28N2O/c1-13(2)20(14(3)4)11-10-19-18(21)17-12-16(17)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3,(H,19,21)/t16-,17+/m1/s1

Experimental Macro pKa Values

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