Molecule ID: mol29754

SMILES: COc1ccc2nccc([C@H](O)C3CC4CCN3C4)c2c1

InChI: InChI=1S/C17H20N2O2/c1-21-12-2-3-15-14(9-12)13(4-6-18-15)17(20)16-8-11-5-7-19(16)10-11/h2-4,6,9,11,16-17,20H,5,7-8,10H2,1H3/t11?,16?,17-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization