Molecule ID: mol29016
SMILES: Cc1cc(CP(=O)(O)O)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C8H10NO6P/c1-5-2-6(4-16(13,14)15)8(10)7(3-5)9(11)12/h2-3,10H,4H2,1H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.82 | AttenGpKa training set | 0 » -1 |
| 6.61 | AttenGpKa training set | -1 » -2 |
| 9.04 | AttenGpKa training set | -2 » -3 |