Molecule ID: mol15330
SMILES: CN(C)CCCNc1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c12
InChI: InChI=1S/C18H19ClN4O2/c1-22(2)11-5-10-20-17-12-6-3-4-7-14(12)21-18-13(19)8-9-15(16(17)18)23(24)25/h3-4,6-9H,5,10-11H2,1-2H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | Datawarrior | 2 » 1 |
| 5.00 | OCHEM | 2 » 1 |
| 5.00 | QSARToolbox | 2 » 1 |