Molecule ID: mol29679

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

InChI: InChI=1S/C16H20N2O/c1-18-11(9-19)5-6-12-13-3-2-4-14-16(13)10(8-17-14)7-15(12)18/h2-4,8,11-12,15,17,19H,5-7,9H2,1H3/t11?,12-,15-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization