Molecule ID: mol15473
SMILES: O=[PH](O)C(NCc1cccnc1)c1ccccc1O
InChI: InChI=1S/C13H15N2O3P/c16-12-6-2-1-5-11(12)13(19(17)18)15-9-10-4-3-7-14-8-10/h1-8,13,15-16,19H,9H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.35 | OCHEM | 2 » 1 |
| 2.35 | QSARToolbox | 2 » 1 |
| 2.35 | Datawarrior | 2 » 1 |
| 3.25 | Datawarrior | 1 » 0 |
| 8.05 | Datawarrior | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 11.98 | Datawarrior | -1 » -2 |