4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 4070-0058 |
| Compound Name: | 4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C19 H11 N O4 |
| Smiles: | c1cc2C(N(C(c3cccc(c1)c23)=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9822 |
| logD: | 0.587 |
| logSw: | -3.6645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.65 |
| InChI Key: | ONCKFUWLVNQAFK-UHFFFAOYSA-N |