Molecule ID: mol2763

SMILES: C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1

InChI: InChI=1S/C29H43NO6/c1-17-10-11-21(30-16-17)13-19(3)22-14-24-29(7,36-24)12-8-9-18(2)26(33)20(4)27(34)28(5,6)23(31)15-25(32)35-22/h10-11,13,16,18,20,22-24,26,31,33H,8-9,12,14-15H2,1-7H3/b19-13+/t18-,20+,22-,23-,24-,26-,29+/m0/s1

Experimental Macro pKa Values

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