2-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid
Chemical Structure Depiction of
2-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid
2-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 2372-2361 |
| Compound Name: | 2-[4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid |
| Molecular Weight: | 481.42 |
| Molecular Formula: | C26 H15 N3 O7 |
| Smiles: | c1ccc(c(c1)C(O)=O)NC(c1ccc(cc1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1703 |
| logD: | -0.6558 |
| logSw: | -4.4525 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.124 |
| InChI Key: | XUXPKXYBGQUEJB-UHFFFAOYSA-N |