Molecule ID: mol14371
SMILES: C[C@H](CCCNCc1ccccc1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C31H49NO2/c1-21(8-7-17-32-20-22-9-5-4-6-10-22)25-11-12-26-29-27(14-16-31(25,26)3)30(2)15-13-24(33)18-23(30)19-28(29)34/h4-6,9-10,21,23-29,32-34H,7-8,11-20H2,1-3H3/t21-,23+,24-,25-,26+,27+,28-,29+,30+,31-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.07 | QSARToolbox | 1 » 0 |
| 9.07 | Datawarrior | 1 » 0 |