5-chloro-2-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid
Chemical Structure Depiction of
5-chloro-2-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid
5-chloro-2-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid
Compound characteristics
| Compound ID: | 8009-4208 |
| Compound Name: | 5-chloro-2-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzamido]benzoic acid |
| Molecular Weight: | 515.87 |
| Molecular Formula: | C26 H14 Cl N3 O7 |
| Smiles: | c1cc(cc(c1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)C(Nc1ccc(cc1C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5046 |
| logD: | -0.5874 |
| logSw: | -4.702 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.124 |
| InChI Key: | ZLJKCQOPBCADFZ-UHFFFAOYSA-N |