6-nitro-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one
6-nitro-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0657-0228 |
| Compound Name: | 6-nitro-3-{1-[2-(4-nitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 368.3 |
| Molecular Formula: | C17 H12 N4 O6 |
| Smiles: | C\C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=N/Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6084 |
| logD: | 3.6084 |
| logSw: | -3.895 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.348 |
| InChI Key: | VKGLYGYIMBTVKI-UHFFFAOYSA-N |