3-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
3-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
3-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 8003-3780 |
| Compound Name: | 3-(5,8-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid |
| Molecular Weight: | 407.29 |
| Molecular Formula: | C19 H9 N3 O8 |
| Smiles: | c1cc(cc(c1)N1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6928 |
| logD: | 0.0032 |
| logSw: | -3.217 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.413 |
| InChI Key: | NIPZTHWSGKAQER-UHFFFAOYSA-N |