Molecule ID: mol14750
SMILES: Cc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1
InChI: InChI=1S/C15H15NO4/c1-9-3-4-14(17)11(5-9)8-12-6-10(2)7-13(15(12)18)16(19)20/h3-7,17-18H,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.87 | QSARToolbox | 0 » -1 |
| 6.87 | QSARToolbox | 0 » -1 |
| 6.87 | OCHEM | 0 » -1 |
| 6.87 | Datawarrior | 0 » -1 |
| 11.69 | Datawarrior | -1 » -2 |