Molecule ID: mol11337
SMILES: O=C1CCCc2ccc([N+](=O)[O-])c(O)c21
InChI: InChI=1S/C10H9NO4/c12-8-3-1-2-6-4-5-7(11(14)15)10(13)9(6)8/h4-5,13H,1-3H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.77 | IUPAC digitized pKa | 0 » -1 |
| 7.95 | IUPAC digitized pKa | 0 » -1 |
| 7.95 | AttenGpKa training set | 0 » -1 |