6,7-dinitro-2-(3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6,7-dinitro-2-(3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
6,7-dinitro-2-(3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3394 |
| Compound Name: | 6,7-dinitro-2-(3-nitrophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 408.28 |
| Molecular Formula: | C18 H8 N4 O8 |
| Smiles: | c1cc(cc(c1)N1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7764 |
| logD: | 2.7764 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 127.785 |
| InChI Key: | UDGKIJISZFDPJE-UHFFFAOYSA-N |