Molecule ID: mol19992

SMILES: O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCCC2)CC1

InChI: InChI=1S/C20H28N2O/c23-20(19-15-18(19)16-7-3-1-4-8-16)22-13-9-17(10-14-22)21-11-5-2-6-12-21/h1,3-4,7-8,17-19H,2,5-6,9-15H2/t18-,19+/m1/s1

Experimental Macro pKa Values

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