Molecule ID: mol18898
SMILES: O=[N+]([O-])c1ncn(CCCCNc2nc(-c3ccccc3)nc3ccccc23)n1
InChI: InChI=1S/C20H19N7O2/c28-27(29)20-22-14-26(25-20)13-7-6-12-21-19-16-10-4-5-11-17(16)23-18(24-19)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13H2,(H,21,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.06 | Baltruschat ChEMBL | 1 » 0 |