Molecule ID: mol30765
SMILES: CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChI: InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | AttenGpKa training set | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |