Molecule ID: mol29834

SMILES: COc1ccc2nccc([C@H](O)C3CCC4CCN3CC4)c2c1

InChI: InChI=1S/C19H24N2O2/c1-23-14-3-4-17-16(12-14)15(6-9-20-17)19(22)18-5-2-13-7-10-21(18)11-8-13/h3-4,6,9,12-13,18-19,22H,2,5,7-8,10-11H2,1H3/t18?,19-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.40 AttenGpKa training set 1 » 0
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Charge States and Microspecies Visualization