Molecule ID: mol14419

SMILES: COC(=O)N1c2ccccc2[C@@]23CCN4CC=C[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5O)[C@H]43

InChI: InChI=1S/C23H26N2O6/c1-30-18(27)23(29)17(26)20-8-5-12-24-13-11-21(16(20)24)14-6-3-4-7-15(14)25(19(28)31-2)22(21,23)10-9-20/h3-8,16-17,26,29H,9-13H2,1-2H3/t16-,17?,20-,21+,22-,23+/m0/s1

Experimental Macro pKa Values

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