Molecule ID: mol32044
SMILES: C/C(=N\N=C(N)N)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C22H38N4O2/c1-13(25-26-19(23)24)16-8-11-22(28)18-5-4-14-12-15(27)6-9-20(14,2)17(18)7-10-21(16,22)3/h14-18,27-28H,4-12H2,1-3H3,(H4,23,24,26)/b25-13+/t14-,15+,16-,17+,18-,20+,21-,22+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.49 | OCHEM | 0 » -1 |