Molecule ID: mol38118
SMILES: O=C1[C@H]2CCCC[C@H]2C(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1
InChI: InChI=1S/C22H29N3O4/c26-21-16-4-1-2-5-17(16)22(27)25(21)13-10-23-8-11-24(12-9-23)18-6-3-7-19-20(18)29-15-14-28-19/h3,6-7,16-17H,1-2,4-5,8-15H2/t16-,17+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.07 | QSARToolbox | 1 » 0 |