Molecule ID: mol20786
SMILES: CC(C)CCCCCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChI: InChI=1S/C14H20N2O5/c1-10(2)6-4-3-5-7-11-8-12(15(18)19)14(17)13(9-11)16(20)21/h8-10,17H,3-7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 0 » -1 |
| 4.10 | Baltruschat ChEMBL | 0 » -1 |