Molecule ID: mol28977
SMILES: Nc1ccc(P(=O)(O)O)c(Cl)c1
InChI: InChI=1S/C6H7ClNO3P/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.33 | QSARToolbox | -1 » -2 |
| 7.33 | QSARToolbox | -1 » -2 |
| 7.33 | OCHEM | -1 » -2 |
| 7.33 | AttenGpKa training set | -1 » -2 |