Molecule ID: mol21275

SMILES: CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@]2(C)/C(=N\OCCN2CCOCC2)C[C@@H]13

InChI: InChI=1S/C32H42N2O8/c1-29(2)22-15-24(33-40-14-10-34-8-12-37-13-9-34)31(4)21(32(22)19-39-26(35)17-25(32)42-29)5-7-30(3)23(31)16-27(36)41-28(30)20-6-11-38-18-20/h6,11,16,18,21-22,25,28H,5,7-10,12-15,17,19H2,1-4H3/b33-24-/t21-,22-,25-,28-,30+,31+,32+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.84 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization