Molecule ID: mol16661

SMILES: CCN(CC)C(=O)[C@@]1(c2ccc3c(c2)OCO3)C[C@H]1CN

InChI: InChI=1S/C16H22N2O3/c1-3-18(4-2)15(19)16(8-12(16)9-17)11-5-6-13-14(7-11)21-10-20-13/h5-7,12H,3-4,8-10,17H2,1-2H3/t12-,16+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.60 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization