Molecule ID: mol2762

SMILES: C/C(=C\c1cc(C)ccn1)[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/c1-17-10-12-30-21(13-17)14-19(3)22-15-24-29(7,36-24)11-8-9-18(2)26(33)20(4)27(34)28(5,6)23(31)16-25(32)35-22/h10,12-14,18,20,22-24,26,31,33H,8-9,11,15-16H2,1-7H3/b19-14+/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
5.50 Novartis 1 » 0
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Charge States and Microspecies Visualization