Molecule ID: mol15397
SMILES: Cc1cc(Cc2cc(C)c(O)c(C)c2)c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C16H17NO4/c1-9-4-13(16(19)14(5-9)17(20)21)8-12-6-10(2)15(18)11(3)7-12/h4-7,18-19H,8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.98 | Datawarrior | 0 » -1 |
| 7.98 | OCHEM | 0 » -1 |
| 11.07 | QSARToolbox | -1 » -2 |
| 11.07 | Datawarrior | -1 » -2 |