Molecule ID: mol29015
SMILES: Cc1cc([N+](=O)[O-])cc(CP(=O)(O)O)c1O
InChI: InChI=1S/C8H10NO6P/c1-5-2-7(9(11)12)3-6(8(5)10)4-16(13,14)15/h2-3,10H,4H2,1H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.91 | AttenGpKa training set | 0 » -1 |
| 5.98 | AttenGpKa training set | -1 » -2 |
| 9.59 | AttenGpKa training set | -2 » -3 |