Molecule ID: mol28917
SMILES: Nc1cccc(P(=O)(O)O)c1
InChI: InChI=1S/C6H8NO3P/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.16 | QSARToolbox | -1 » -2 |
| 7.16 | OCHEM | -1 » -2 |
| 7.16 | AttenGpKa training set | -1 » -2 |