6-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
Chemical Structure Depiction of
6-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
6-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid
Compound characteristics
| Compound ID: | 4305-0126 |
| Compound Name: | 6-(6-bromo-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoic acid |
| Molecular Weight: | 390.23 |
| Molecular Formula: | C18 H16 Br N O4 |
| Smiles: | C(CCC(O)=O)CCN1C(c2cccc3c(ccc(C1=O)c23)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.269 |
| logD: | 0.4408 |
| logSw: | -3.6523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.488 |
| InChI Key: | CHUNOHPPPKLHTE-UHFFFAOYSA-N |