3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Compound characteristics
Compound ID: | 2036-1777 |
Compound Name: | 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid |
Molecular Weight: | 362.3 |
Molecular Formula: | C19 H10 N2 O6 |
Smiles: | c1cc(cc(c1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.0916 |
logD: | 0.4021 |
logSw: | -3.7356 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.731 |
InChI Key: | MBWNROSGDJVDBX-UHFFFAOYSA-N |