Molecule ID: mol20784
SMILES: CC(C)Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C10H12N2O5/c1-6(2)3-7-4-8(11(14)15)10(13)9(5-7)12(16)17/h4-6,13H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | Baltruschat ChEMBL | 0 » -1 |