2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3329 |
| Compound Name: | 2-(4-hydroxyphenyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 379.28 |
| Molecular Formula: | C18 H9 N3 O7 |
| Smiles: | c1cc(ccc1N1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.2814 |
| logD: | 2.28 |
| logSw: | -2.7102 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.021 |
| InChI Key: | PJGIJGCNJYIPSD-UHFFFAOYSA-N |