Molecule ID: mol15478
SMILES: Cc1ccc(O)c(Cc2cc([N+](=O)[O-])ccc2O)c1
InChI: InChI=1S/C14H13NO4/c1-9-2-4-13(16)10(6-9)7-11-8-12(15(18)19)3-5-14(11)17/h2-6,8,16-17H,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.34 | Datawarrior | 0 » -1 |
| 6.34 | OCHEM | 0 » -1 |
| 11.46 | Datawarrior | -1 » -2 |
| 11.46 | QSARToolbox | -1 » -2 |
| 11.46 | QSARToolbox | -1 » -2 |
| 11.50 | QSARToolbox | -1 » -2 |