Molecule ID: mol15012
SMILES: C[C@H](CCCN)[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/C24H43NO/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h16-22,26H,4-15,25H2,1-3H3/t16-,17-,18-,19+,20-,21+,22+,23+,24-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | QSARToolbox | 1 » 0 |
| 9.70 | Datawarrior | 1 » 0 |