Molecule ID: mol15477
SMILES: Cc1ccc(O)cc1Cc1cc([N+](=O)[O-])ccc1O
InChI: InChI=1S/C14H13NO4/c1-9-2-4-13(16)8-10(9)6-11-7-12(15(18)19)3-5-14(11)17/h2-5,7-8,16-17H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.03 | Datawarrior | 0 » -1 |
| 7.03 | OCHEM | 0 » -1 |
| 10.35 | Datawarrior | -1 » -2 |
| 10.35 | QSARToolbox | -1 » -2 |