8-ethyl-1,3-dinitrodibenzo[b,f]oxepine
Chemical Structure Depiction of
8-ethyl-1,3-dinitrodibenzo[b,f]oxepine
8-ethyl-1,3-dinitrodibenzo[b,f]oxepine
Compound characteristics
| Compound ID: | 8009-8649 |
| Compound Name: | 8-ethyl-1,3-dinitrodibenzo[b,f]oxepine |
| Molecular Weight: | 312.28 |
| Molecular Formula: | C16 H12 N2 O5 |
| Smiles: | CCc1ccc2c(C=Cc3c(cc(cc3O2)[N+]([O-])=O)[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6417 |
| logD: | 4.6417 |
| logSw: | -4.5851 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.845 |
| InChI Key: | ZXTJYBHKCHNDDR-UHFFFAOYSA-N |