Molecule ID: mol38440
SMILES: C[C@H](CCCN1CCOCC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C28H49NO2/c1-20(5-4-14-29-15-17-31-18-16-29)24-8-9-25-23-7-6-21-19-22(30)10-12-27(21,2)26(23)11-13-28(24,25)3/h20-26,30H,4-19H2,1-3H3/t20-,21-,22-,23+,24-,25+,26+,27+,28-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.74 | QSARToolbox | 1 » 0 |