Molecule ID: mol14508
SMILES: c1c[nH]c(P(c2ncc[nH]2)c2ncc[nH]2)n1
InChI: InChI=1S/C9H9N6P/c1-2-11-7(10-1)16(8-12-3-4-13-8)9-14-5-6-15-9/h1-6H,(H,10,11)(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.26 | Datawarrior | -1 » -2 |
| 5.26 | QSARToolbox | -1 » -2 |
| 6.59 | Datawarrior | -1 » -2 |
| 7.44 | Datawarrior | 0 » -1 |
| 7.44 | OCHEM | 0 » -1 |