Molecule ID: mol32047
SMILES: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N/NC3=NCCN3)CC[C@]12O
InChI: InChI=1S/C23H38N4O2/c1-21-8-6-17(28)13-15(21)3-4-19-18(21)7-9-22(2)16(5-10-23(19,22)29)14-26-27-20-24-11-12-25-20/h14-19,28-29H,3-13H2,1-2H3,(H2,24,25,27)/b26-14+/t15-,16-,17+,18+,19-,21+,22-,23+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | OCHEM | 1 » 0 |