3-[(2-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Chemical Structure Depiction of
3-[(2-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
3-[(2-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
Compound characteristics
| Compound ID: | K699-0054 |
| Compound Name: | 3-[(2-nitroanilino)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C16 H16 N2 O6 |
| Smiles: | C1CCC2(CC1)OC(C(=CNc1ccccc1[N+]([O-])=O)C(=O)O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5578 |
| logD: | -0.1999 |
| logSw: | -2.9282 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.313 |
| InChI Key: | BFQVWULSJVWONZ-UHFFFAOYSA-N |