4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Chemical Structure Depiction of
4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid
Compound characteristics
| Compound ID: | 5386-1582 |
| Compound Name: | 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoic acid |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C16 H12 N2 O6 |
| Smiles: | C(CC(O)=O)CN1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5237 |
| logD: | -1.2899 |
| logSw: | -2.4391 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.568 |
| InChI Key: | IDVHGRZRZDBHOV-UHFFFAOYSA-N |