Molecule ID: mol15054

SMILES: COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H]([C@@H]2O)N(C)CC[C@]314

InChI: InChI=1S/C18H23NO3/c1-19-9-8-18-11-4-3-5-13(18)22-17-12(21-2)7-6-10(14(17)18)16(20)15(11)19/h6-7,11,13,15-16,20H,3-5,8-9H2,1-2H3/t11-,13-,15-,16+,18+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.41 Datawarrior 1 » 0
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Charge States and Microspecies Visualization