7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Chemical Structure Depiction of
7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Compound characteristics
| Compound ID: | 8016-3804 |
| Compound Name: | 7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one |
| Molecular Weight: | 222.2 |
| Molecular Formula: | C10 H10 N2 O4 |
| Smiles: | Cc1cc2CNC(COc2c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1585 |
| logD: | 1.1585 |
| logSw: | -2.2416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.659 |
| InChI Key: | VVLQWQITYUYCME-UHFFFAOYSA-N |