Molecule ID: mol13301
SMILES: NC(c1cccc(O)c1O)P(=O)(O)O
InChI: InChI=1S/C7H10NO5P/c8-7(14(11,12)13)4-2-1-3-5(9)6(4)10/h1-3,7,9-10H,8H2,(H2,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.06 | OCHEM | 0 » -1 |
| 5.06 | Datawarrior | 0 » -1 |
| 9.44 | QSARToolbox | -2 » -3 |
| 9.44 | Datawarrior | -2 » -3 |
| 12.42 | Datawarrior | -3 » -4 |