3,3'-[(2-hydroxy-3,5-dinitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
Chemical Structure Depiction of
3,3'-[(2-hydroxy-3,5-dinitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
3,3'-[(2-hydroxy-3,5-dinitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
Compound characteristics
| Compound ID: | 1804-0043 |
| Compound Name: | 3,3'-[(2-hydroxy-3,5-dinitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one) |
| Molecular Weight: | 518.39 |
| Molecular Formula: | C25 H14 N2 O11 |
| Smiles: | c1ccc2c(c1)C(=C(C(C1=C(c3ccccc3OC1=O)O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)C(=O)O2)O |
| Stereo: | ACHIRAL |
| logP: | 3.2328 |
| logD: | 0.0914 |
| logSw: | -3.8011 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 153.622 |
| InChI Key: | PIYFMBRCPOEBAG-UHFFFAOYSA-N |