Molecule ID: mol14696

SMILES: CO[C@H]1C=CC2=CCN3CC[C@H](CO)C(=CCO)[C@]23C1

InChI: InChI=1S/C16H23NO3/c1-20-14-3-2-13-5-8-17-7-4-12(11-19)15(6-9-18)16(13,17)10-14/h2-3,5-6,12,14,18-19H,4,7-11H2,1H3/t12-,14+,16+/m1/s1

Experimental Macro pKa Values

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