12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
Chemical Structure Depiction of
12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine
Compound characteristics
| Compound ID: | 1623-0070 |
| Compound Name: | 12,13-dinitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C12 H14 N2 O8 |
| Smiles: | C1COCCOc2cc(c(cc2OCCO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.2501 |
| logD: | 0.2501 |
| logSw: | -1.265 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.371 |
| InChI Key: | COZTVNHODQGZFT-UHFFFAOYSA-N |