4-nitro-1,6-dioxo-1lambda~5~,6lambda~5~-benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole
Chemical Structure Depiction of
4-nitro-1,6-dioxo-1lambda~5~,6lambda~5~-benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole
4-nitro-1,6-dioxo-1lambda~5~,6lambda~5~-benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole
Compound characteristics
| Compound ID: | S400-0036 |
| Compound Name: | 4-nitro-1,6-dioxo-1lambda~5~,6lambda~5~-benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole |
| Molecular Weight: | 239.1 |
| Molecular Formula: | C6 H N5 O6 |
| Smiles: | c1c(c2c(c3c1[n+]([O-])on3)[n+]([O-])on2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6666 |
| logD: | 0.6666 |
| logSw: | -1.0919 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 116.078 |
| InChI Key: | UZZCSVAQNWFVQL-UHFFFAOYSA-N |