5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylic acid
5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 2036-1774 |
| Compound Name: | 5-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 406.31 |
| Molecular Formula: | C20 H10 N2 O8 |
| Smiles: | c1cc2C(N(C(c3ccc(c(c1)c23)[N+]([O-])=O)=O)c1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0304 |
| logD: | -0.1365 |
| logSw: | -3.5944 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.139 |
| InChI Key: | UYMLFYRLDJCESF-UHFFFAOYSA-N |