2-(2,4-dinitroanilino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
2-(2,4-dinitroanilino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
2-(2,4-dinitroanilino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | 8005-9505 |
| Compound Name: | 2-(2,4-dinitroanilino)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione |
| Molecular Weight: | 370.32 |
| Molecular Formula: | C17 H14 N4 O6 |
| Smiles: | C1C2C1C1C=CC2C2C1C(N(C2=O)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0441 |
| logD: | 2.044 |
| logSw: | -2.7958 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.842 |
| InChI Key: | SNVLJRBUBUBHBJ-UHFFFAOYSA-N |