Molecule ID: mol36508
SMILES: CN1CCN2CCc3cc(/N=N/c4ccc([N+](=O)[O-])cc4)cc(c3O)CCN(CC1)CCN(C)CC2
InChI: InChI=1S/C26H37N7O3/c1-29-11-15-31-9-7-21-19-24(28-27-23-3-5-25(6-4-23)33(35)36)20-22(26(21)34)8-10-32(16-12-29)18-14-30(2)13-17-31/h3-6,19-20,34H,7-18H2,1-2H3/b28-27+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.77 | QSARToolbox | 0 » -1 |