3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
Chemical Structure Depiction of
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid
Compound characteristics
| Compound ID: | 5042-0515 |
| Compound Name: | 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propanoic acid |
| Molecular Weight: | 314.25 |
| Molecular Formula: | C15 H10 N2 O6 |
| Smiles: | C(CN1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1707 |
| logD: | -1.3619 |
| logSw: | -2.4769 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.568 |
| InChI Key: | QKIPXSPXLPYYIO-UHFFFAOYSA-N |