2-(3-methylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-methylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(3-methylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0577-0017 |
| Compound Name: | 2-(3-methylphenyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C19 H12 N2 O4 |
| Smiles: | Cc1cccc(c1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6528 |
| logD: | 3.6528 |
| logSw: | -4.3367 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.323 |
| InChI Key: | VWIKRRSZNVEHSD-UHFFFAOYSA-N |