Molecule ID: mol14748
SMILES: Cc1cc(Cc2cc([N+](=O)[O-])ccc2O)cc(C)c1O
InChI: InChI=1S/C15H15NO4/c1-9-5-11(6-10(2)15(9)18)7-12-8-13(16(19)20)3-4-14(12)17/h3-6,8,17-18H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.12 | QSARToolbox | 0 » -1 |
| 7.12 | QSARToolbox | 0 » -1 |
| 7.12 | OCHEM | 0 » -1 |
| 7.12 | Datawarrior | 0 » -1 |
| 10.87 | Datawarrior | -1 » -2 |