Molecule ID: mol36416
SMILES: CN(C)c1cccc2c(S(=O)(=O)NCCN3CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC3)cccc12
InChI: InChI=1S/C28H45N9O5S/c1-33(2)24-7-3-6-23-22(24)5-4-8-25(23)43(41,42)32-9-10-34-11-13-35(19-26(29)38)15-17-37(21-28(31)40)18-16-36(14-12-34)20-27(30)39/h3-8,32H,9-21H2,1-2H3,(H2,29,38)(H2,30,39)(H2,31,40)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.60 | QSARToolbox | 0 » -1 |