5-methyl-8-nitro-3-(3-nitrophenyl)-4H-1,2,4-benzoxadiazine
Chemical Structure Depiction of
5-methyl-8-nitro-3-(3-nitrophenyl)-4H-1,2,4-benzoxadiazine
5-methyl-8-nitro-3-(3-nitrophenyl)-4H-1,2,4-benzoxadiazine
Compound characteristics
| Compound ID: | 8007-3866 |
| Compound Name: | 5-methyl-8-nitro-3-(3-nitrophenyl)-4H-1,2,4-benzoxadiazine |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C14 H10 N4 O5 |
| Smiles: | Cc1ccc(c2c1NC(c1cccc(c1)[N+]([O-])=O)=NO2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9961 |
| logD: | 1.2754 |
| logSw: | -3.2854 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.756 |
| InChI Key: | VKKAGPBHTVVPKU-UHFFFAOYSA-N |