Molecule ID: mol32042
SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/Nc3ccccn3)CC[C@]12O
InChI: InChI=1S/C25H37N3O2/c1-23-11-9-19(29)15-17(23)6-7-21-20(23)10-12-24(2)18(8-13-25(21,24)30)16-27-28-22-5-3-4-14-26-22/h3-5,14,16-21,29-30H,6-13,15H2,1-2H3,(H,26,28)/b27-16+/t17-,18-,19+,20+,21-,23+,24-,25+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.34 | OCHEM | 1 » 0 |