N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-hydroxybenzamide
Chemical Structure Depiction of
N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-hydroxybenzamide
N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-hydroxybenzamide
Compound characteristics
| Compound ID: | 8004-3354 |
| Compound Name: | N-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-hydroxybenzamide |
| Molecular Weight: | 422.31 |
| Molecular Formula: | C19 H10 N4 O8 |
| Smiles: | c1cc(ccc1C(NN1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.0453 |
| logD: | 1.0188 |
| logSw: | -2.4089 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.635 |
| InChI Key: | YUHLBLUUVGHOCP-UHFFFAOYSA-N |