Molecule ID: mol36509
SMILES: CN1CCN2CCc3cc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc(c3O)CCN(CC1)CCN(C)CC2
InChI: InChI=1S/C26H38N6O4S/c1-29-11-15-31-9-7-21-19-24(28-27-23-3-5-25(6-4-23)37(34,35)36)20-22(26(21)33)8-10-32(16-12-29)18-14-30(2)13-17-31/h3-6,19-20,33H,7-18H2,1-2H3,(H,34,35,36)/b28-27+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.17 | QSARToolbox | -1 » -2 |