Molecule ID: mol14849
SMILES: [O-][n+]1cnc(NCc2ccccc2)c2nc[nH]c21
InChI: InChI=1S/C12H11N5O/c18-17-8-16-11(10-12(17)15-7-14-10)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,16)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.86 | QSARToolbox | 1 » 0 |
| 2.86 | OCHEM | 1 » 0 |
| 2.86 | Datawarrior | 1 » 0 |
| 7.27 | Datawarrior | 0 » -1 |
| 7.27 | OCHEM | 0 » -1 |