Molecule ID: mol14422
SMILES: CCN(CC)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI: InChI=1S/C28H51NO2/c1-6-29(7-2)16-8-9-19(3)23-12-13-24-22-11-10-20-17-21(30)14-15-27(20,4)25(22)18-26(31)28(23,24)5/h19-26,30-31H,6-18H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27+,28-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.34 | Datawarrior | 1 » 0 |
| 10.34 | QSARToolbox | 1 » 0 |