Molecule ID: mol30764
SMILES: CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | OCHEM | 0 » -1 |
| 4.11 | AttenGpKa training set | 0 » -1 |