Molecule ID: mol15410

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

InChI: InChI=1S/C17H21NO3/c1-20-11-6-5-9-13-16(11)21-12-4-2-3-10-14(15(9)19)18-8-7-17(10,12)13/h5-6,10,12,14-15,18-19H,2-4,7-8H2,1H3/t10-,12-,14-,15-,17+/m0/s1

Experimental Macro pKa Values

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