Molecule ID: mol15475
SMILES: O=[PH](O)C(NCc1ccccn1)c1ccccc1O
InChI: InChI=1S/C13H15N2O3P/c16-12-7-2-1-6-11(12)13(19(17)18)15-9-10-5-3-4-8-14-10/h1-8,13,15-16,19H,9H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | Datawarrior | 1 » 0 |
| 2.40 | QSARToolbox | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 3.25 | Datawarrior | 1 » 0 |
| 8.08 | OCHEM | 0 » -1 |
| 8.08 | Datawarrior | 0 » -1 |
| 12.01 | Datawarrior | -1 » -2 |