6-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
Chemical Structure Depiction of
6-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
6-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
Compound characteristics
| Compound ID: | 1168-0311 |
| Compound Name: | 6-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid |
| Molecular Weight: | 356.33 |
| Molecular Formula: | C18 H16 N2 O6 |
| Smiles: | C(CCC(O)=O)CCN1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5338 |
| logD: | -0.2944 |
| logSw: | -2.9183 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.568 |
| InChI Key: | WKQKZUQFLOYADL-UHFFFAOYSA-N |