Molecule ID: mol38441
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]3C[C@H](O)[C@]12C
InChI: InChI=1S/C31H49NO3/c1-20(8-7-15-32-19-21-9-5-4-6-10-21)24-11-12-25-29-26(18-28(35)31(24,25)3)30(2)14-13-23(33)16-22(30)17-27(29)34/h4-6,9-10,20,22-29,32-35H,7-8,11-19H2,1-3H3/t20-,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.13 | QSARToolbox | 1 » 0 |