N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | 1582-0006 |
| Compound Name: | N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 315.24 |
| Molecular Formula: | C13 H9 N5 O5 |
| Smiles: | Cc1cc(ccc1Nc1ccc2c(c1[N+]([O-])=O)non2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3408 |
| logD: | 4.3408 |
| logSw: | -4.507 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.006 |
| InChI Key: | YNJKUSRIRXSYLT-UHFFFAOYSA-N |