7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Chemical Structure Depiction of
7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Compound characteristics
| Compound ID: | 8013-6029 |
| Compound Name: | 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one |
| Molecular Weight: | 208.17 |
| Molecular Formula: | C9 H8 N2 O4 |
| Smiles: | C1c2cc(ccc2OCC(N1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.81 |
| logD: | 0.81 |
| logSw: | -2.2968 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.275 |
| InChI Key: | GPWQCPJNIXBZCX-UHFFFAOYSA-N |