4-(5-hydroxy-6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Chemical Structure Depiction of
4-(5-hydroxy-6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
4-(5-hydroxy-6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid
Compound characteristics
| Compound ID: | 8013-2078 |
| Compound Name: | 4-(5-hydroxy-6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoic acid |
| Molecular Weight: | 378.3 |
| Molecular Formula: | C19 H10 N2 O7 |
| Smiles: | c1cc2C(N(C(c3cc(c(c(c1)c23)[N+]([O-])=O)O)=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6231 |
| logD: | 0.2278 |
| logSw: | -3.0194 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.978 |
| InChI Key: | GYGXHUBBHPKQNQ-UHFFFAOYSA-N |