Molecule ID: mol15603
SMILES: CN(C)CCCNc1c2ccccc2nc2c(N(C)C)ccc([N+](=O)[O-])c12
InChI: InChI=1S/C20H25N5O2/c1-23(2)13-7-12-21-19-14-8-5-6-9-15(14)22-20-17(24(3)4)11-10-16(18(19)20)25(26)27/h5-6,8-11H,7,12-13H2,1-4H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.47 | QSARToolbox | 2 » 1 |
| 6.47 | OCHEM | 2 » 1 |
| 6.47 | Datawarrior | 2 » 1 |