Molecule ID: mol14737
SMILES: O=P(O)(O)C(NCc1ccccn1)c1ccccc1O
InChI: InChI=1S/C13H15N2O4P/c16-12-7-2-1-6-11(12)13(20(17,18)19)15-9-10-5-3-4-8-14-10/h1-8,13,15-16H,9H2,(H2,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | Datawarrior | 1 » 0 |
| 2.25 | OCHEM | 1 » 0 |
| 2.25 | QSARToolbox | 1 » 0 |
| 3.12 | Datawarrior | 1 » 0 |
| 5.15 | Datawarrior | 0 » -1 |
| 10.15 | Datawarrior | -2 » -3 |
| 12.06 | Datawarrior | -2 » -3 |
| 12.06 | OCHEM | -2 » -3 |