Molecule ID: mol14738
SMILES: O=P(O)(O)C(NCc1cccnc1)c1ccccc1O
InChI: InChI=1S/C13H15N2O4P/c16-12-6-2-1-5-11(12)13(20(17,18)19)15-9-10-4-3-7-14-8-10/h1-8,13,15-16H,9H2,(H2,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.28 | QSARToolbox | 2 » 1 |
| 2.28 | Datawarrior | 2 » 1 |
| 2.28 | OCHEM | 2 » 1 |
| 3.14 | Datawarrior | 1 » 0 |
| 5.15 | Datawarrior | 0 » -1 |
| 10.16 | Datawarrior | -2 » -3 |
| 12.16 | Datawarrior | -2 » -3 |
| 12.16 | OCHEM | -2 » -3 |