Molecule ID: mol29755

SMILES: COc1ccc2nccc([C@H](O)C3C4CCN3CC4)c2c1

InChI: InChI=1S/C17H20N2O2/c1-21-12-2-3-15-14(10-12)13(4-7-18-15)17(20)16-11-5-8-19(16)9-6-11/h2-4,7,10-11,16-17,20H,5-6,8-9H2,1H3/t16?,17-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization