Molecule ID: mol28918
SMILES: Nc1ccc(P(=O)(O)O)cc1
InChI: InChI=1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.35 | QSARToolbox | 1 » 0 |
| 4.20 | QSARToolbox | 0 » -1 |
| 7.53 | OCHEM | -1 » -2 |
| 7.53 | QSARToolbox | -1 » -2 |
| 7.65 | QSARToolbox | -1 » -2 |
| 7.65 | QSARToolbox | -1 » -2 |
| 7.69 | AttenGpKa training set | -1 » -2 |