Molecule ID: mol34076
SMILES: CC(=O)OCCN(CCOC(C)=O)c1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12
InChI: InChI=1S/C26H33N5O6/c1-18(32)36-16-14-30(15-17-37-19(2)33)23-11-10-22(31(34)35)24-25(27-12-7-13-29(3)4)20-8-5-6-9-21(20)28-26(23)24/h5-6,8-11H,7,12-17H2,1-4H3,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | QSARToolbox | 2 » 1 |