6-nitro-2-[(oxolan-2-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
6-nitro-2-[(oxolan-2-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
6-nitro-2-[(oxolan-2-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8013-2476 |
| Compound Name: | 6-nitro-2-[(oxolan-2-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | C1CC(CN2C(c3cccc4c(ccc(C2=O)c34)[N+]([O-])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3647 |
| logD: | 2.3647 |
| logSw: | -3.0092 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.589 |
| InChI Key: | NGYYHWDFIZTGMZ-SNVBAGLBSA-N |