Molecule ID: mol14749
SMILES: Cc1cc(Cc2cc(O)ccc2C)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C15H15NO4/c1-9-5-12(15(18)14(6-9)16(19)20)7-11-8-13(17)4-3-10(11)2/h3-6,8,17-18H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | OCHEM | 0 » -1 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | QSARToolbox | 0 » -1 |
| 7.93 | Datawarrior | 0 » -1 |
| 10.40 | Datawarrior | -1 » -2 |