2-nitro-3-(4-nitroanilino)naphthalene-1,4-dione
Chemical Structure Depiction of
2-nitro-3-(4-nitroanilino)naphthalene-1,4-dione
2-nitro-3-(4-nitroanilino)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 8020-7887 |
| Compound Name: | 2-nitro-3-(4-nitroanilino)naphthalene-1,4-dione |
| Molecular Weight: | 339.26 |
| Molecular Formula: | C16 H9 N3 O6 |
| Smiles: | c1ccc2C(C(=C(C(c2c1)=O)Nc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7252 |
| logD: | 0.1739 |
| logSw: | -3.885 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.245 |
| InChI Key: | BOURQWOSCVQPED-UHFFFAOYSA-N |