Molecule ID: mol21274

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\OCCN2CCCCC2)C[C@@H]13

InChI: InChI=1S/C33H44N2O7/c1-30(2)23-16-25(34-40-15-13-35-11-6-5-7-12-35)32(4)22(33(23)20-39-27(36)18-26(33)42-30)8-10-31(3)24(32)17-28(37)41-29(31)21-9-14-38-19-21/h9,14,17,19,22-23,26,29H,5-8,10-13,15-16,18,20H2,1-4H3/b34-25-/t22-,23-,26-,29-,31+,32+,33+/m0/s1

Experimental Macro pKa Values

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