Molecule ID: mol32052
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=NC(=O)CN3)CC[C@]12O
InChI: InChI=1S/C23H36N4O3/c1-21-8-6-16(28)11-14(21)3-4-18-17(21)7-9-22(2)15(5-10-23(18,22)30)12-25-27-20-24-13-19(29)26-20/h12,14-18,28,30H,3-11,13H2,1-2H3,(H2,24,26,27,29)/b25-12+/t14-,15-,16+,17+,18-,21+,22-,23+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | OCHEM | 1 » 0 |