Molecule ID: mol2764

SMILES: C/C(=C\c1cccc(C)n1)[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/c1-17-10-9-13-29(7)24(36-29)15-22(18(2)14-21-12-8-11-19(3)30-21)35-25(32)16-23(31)28(5,6)27(34)20(4)26(17)33/h8,11-12,14,17,20,22-24,26,31,33H,9-10,13,15-16H2,1-7H3/b18-14+/t17-,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