Molecule ID: mol37615
SMILES: CN1CCN([C@H]2C[C@@H]3[C@H](C2)[C@@H]3N2CCN([C@@H]3[C@@H]4C[C@H](N5CCN(C)CC5)C[C@@H]43)CC2)CC1
InChI: InChI=1S/C26H46N6/c1-27-3-7-29(8-4-27)19-15-21-22(16-19)25(21)31-11-13-32(14-12-31)26-23-17-20(18-24(23)26)30-9-5-28(2)6-10-30/h19-26H,3-18H2,1-2H3/t19-,20-,21+,22-,23+,24-,25+,26+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.38 | QSARToolbox | 4 » 3 |