1,4,9-trioxo-1lambda~5~,4lambda~5~,9lambda~5~-benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole
Chemical Structure Depiction of
1,4,9-trioxo-1lambda~5~,4lambda~5~,9lambda~5~-benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole
1,4,9-trioxo-1lambda~5~,4lambda~5~,9lambda~5~-benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole
Compound characteristics
| Compound ID: | 8009-8689 |
| Compound Name: | 1,4,9-trioxo-1lambda~5~,4lambda~5~,9lambda~5~-benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole |
| Molecular Weight: | 252.1 |
| Molecular Formula: | C6 N6 O6 |
| Smiles: | c12c3c(c4c(c1[n+]([O-])on2)no[n+]4[O-])[n+]([O-])on3 |
| Stereo: | ACHIRAL |
| logP: | -0.0006 |
| logD: | -0.0006 |
| logSw: | 0.6075 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 124.042 |
| InChI Key: | GTCUMJIKFSPSKS-UHFFFAOYSA-N |