Molecule ID: mol28919
SMILES: Nc1ccccc1P(=O)(O)O
InChI: InChI=1S/C6H8NO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | AttenGpKa training set | 0 » -1 |
| 7.29 | QSARToolbox | -1 » -2 |
| 7.29 | QSARToolbox | -1 » -2 |
| 7.29 | AttenGpKa training set | -1 » -2 |
| 7.30 | OCHEM | -1 » -2 |