6-nitro-3-[1-(2-phenylhydrazinylidene)ethyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-[1-(2-phenylhydrazinylidene)ethyl]-2H-1-benzopyran-2-one
6-nitro-3-[1-(2-phenylhydrazinylidene)ethyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1814-2177 |
| Compound Name: | 6-nitro-3-[1-(2-phenylhydrazinylidene)ethyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 323.31 |
| Molecular Formula: | C17 H13 N3 O4 |
| Smiles: | C\C(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)=N/Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.491 |
| logD: | 3.491 |
| logSw: | -3.878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.966 |
| InChI Key: | XMBJBSAFNMMWBI-UHFFFAOYSA-N |