Molecule ID: mol11393
SMILES: CCc1cc([N+](=O)[O-])cc(CC)c1O
InChI: InChI=1S/C10H13NO3/c1-3-7-5-9(11(13)14)6-8(4-2)10(7)12/h5-6,12H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.73 | IUPAC digitized pKa | 0 » -1 |
| 7.73 | Datawarrior | 0 » -1 |
| 7.73 | OCHEM | 0 » -1 |
| 7.73 | OCHEM | 0 » -1 |
| 7.73 | QSARToolbox | 0 » -1 |
| 7.73 | QSARToolbox | 0 » -1 |
| 7.73 | QSARToolbox | 0 » -1 |
| 7.73 | QSARToolbox | 0 » -1 |