Molecule ID: mol29835

SMILES: COc1ccc2nccc([C@H](O)C3CC4CCCN3CC4)c2c1

InChI: InChI=1S/C19H24N2O2/c1-23-14-4-5-17-16(12-14)15(6-8-20-17)19(22)18-11-13-3-2-9-21(18)10-7-13/h4-6,8,12-13,18-19,22H,2-3,7,9-11H2,1H3/t13?,18?,19-/m0/s1

Experimental Macro pKa Values

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