2-[4-(hexyloxy)phenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(hexyloxy)phenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-[4-(hexyloxy)phenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0099-0193 |
| Compound Name: | 2-[4-(hexyloxy)phenyl]-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C24 H22 N2 O5 |
| Smiles: | CCCCCCOc1ccc(cc1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6327 |
| logD: | 5.6327 |
| logSw: | -5.9302 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.741 |
| InChI Key: | WKXGZLVDTIOSHT-UHFFFAOYSA-N |