5-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzene-1,3-dicarboxylic acid
5-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 3226-0008 |
| Compound Name: | 5-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 525.43 |
| Molecular Formula: | C27 H15 N3 O9 |
| Smiles: | c1cc(cc(c1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)C(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2836 |
| logD: | 0.9202 |
| logSw: | -4.601 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 141.23 |
| InChI Key: | WFDKIXSUEHKTJS-UHFFFAOYSA-N |