Molecule ID: mol15011

SMILES: COc1ccc2c(c1OC(C)=O)[C@]13CCN(C)[C@H](C2)[C@@H]1CC[C@H](OC)C3

InChI: InChI=1S/C21H29NO4/c1-13(23)26-20-18(25-4)8-5-14-11-17-16-7-6-15(24-3)12-21(16,19(14)20)9-10-22(17)2/h5,8,15-17H,6-7,9-12H2,1-4H3/t15-,16-,17+,21-/m0/s1

Experimental Macro pKa Values

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