Molecule ID: mol32043
SMILES: CN1CCN=C1N/N=C/[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/C24H40N4O2/c1-22-9-7-18(29)14-16(22)4-5-20-19(22)8-10-23(2)17(6-11-24(20,23)30)15-26-27-21-25-12-13-28(21)3/h15-20,29-30H,4-14H2,1-3H3,(H,25,27)/b26-15+/t16-,17-,18+,19+,20-,22+,23-,24+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | OCHEM | 1 » 0 |