4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 0893-0294 |
| Compound Name: | 4-(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: | c1cc2C(N(C(c3ccc(c(c1)c23)[N+]([O-])=O)=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0026 |
| logD: | 0.6074 |
| logSw: | -3.626 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.731 |
| InChI Key: | CKZZWONCAWOIKG-UHFFFAOYSA-N |