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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.84 | Baltruschat ChEMBL | 1 » 0 |