Molecule ID: mol20785
SMILES: CC(C)CCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C11H14N2O5/c1-7(2)3-4-8-5-9(12(15)16)11(14)10(6-8)13(17)18/h5-7,14H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | Baltruschat ChEMBL | 0 » -1 |