Molecule ID: mol14697

SMILES: CO[C@H]1CC=C2CCN3CC[C@H](CO)C(=CCO)[C@]23C1

InChI: InChI=1S/C16H25NO3/c1-20-14-3-2-13-5-8-17-7-4-12(11-19)15(6-9-18)16(13,17)10-14/h2,6,12,14,18-19H,3-5,7-11H2,1H3/t12-,14+,16+/m1/s1

Experimental Macro pKa Values

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