Molecule ID: mol28135
SMILES: O=[N+]([O-])N/C(=N\c1ccccc1)NCCNc1ccccc1
InChI: InChI=1S/C15H17N5O2/c21-20(22)19-15(18-14-9-5-2-6-10-14)17-12-11-16-13-7-3-1-4-8-13/h1-10,16H,11-12H2,(H2,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | AttenGpKa training set | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |