Molecule ID: mol14987
SMILES: O=[N+]([O-])c1cccc2nccc(NCCCO)c12
InChI: InChI=1S/C12H13N3O3/c16-8-2-6-13-10-5-7-14-9-3-1-4-11(12(9)10)15(17)18/h1,3-5,7,16H,2,6,8H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | OCHEM | 1 » 0 |
| 7.06 | QSARToolbox | 1 » 0 |
| 7.06 | Datawarrior | 1 » 0 |