1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8010-5068 |
| Compound Name: | 1,3-dinitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 301.21 |
| Molecular Formula: | C13 H7 N3 O6 |
| Smiles: | c1ccc2c(c1)NC(c1c(cc(cc1O2)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.768 |
| logD: | 1.7325 |
| logSw: | -3.5012 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.802 |
| InChI Key: | KLNXLERKYIWYAC-UHFFFAOYSA-N |