15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Chemical Structure Depiction of
15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
Compound characteristics
| Compound ID: | 1623-0064 |
| Compound Name: | 15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine |
| Molecular Weight: | 358.3 |
| Molecular Formula: | C14 H18 N2 O9 |
| Smiles: | C1COCCOc2cc(c(cc2OCCOCCO1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.0752 |
| logD: | 0.0752 |
| logSw: | -1.2063 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 106.279 |
| InChI Key: | ULJMTCOSXHIKST-UHFFFAOYSA-N |