7-methyl-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
7-methyl-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
7-methyl-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8012-7735 |
| Compound Name: | 7-methyl-1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 315.24 |
| Molecular Formula: | C14 H9 N3 O6 |
| Smiles: | Cc1ccc2c(c1)Oc1cc(cc(c1C(N2)=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2738 |
| logD: | 2.1268 |
| logSw: | -3.8354 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.802 |
| InChI Key: | QZZJXDWHWCFAIV-UHFFFAOYSA-N |