3,3'-[(2,4-dichloro-5-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
Chemical Structure Depiction of
3,3'-[(2,4-dichloro-5-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
3,3'-[(2,4-dichloro-5-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
Compound characteristics
| Compound ID: | 3317-0130 |
| Compound Name: | 3,3'-[(2,4-dichloro-5-nitrophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one) |
| Molecular Weight: | 526.29 |
| Molecular Formula: | C25 H13 Cl2 N O8 |
| Smiles: | c1ccc2c(c1)C(=C(C(C1=C(c3ccccc3OC1=O)O)c1cc(c(cc1[Cl])[Cl])[N+]([O-])=O)C(=O)O2)O |
| Stereo: | ACHIRAL |
| logP: | 4.4721 |
| logD: | 1.6164 |
| logSw: | -4.4635 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.761 |
| InChI Key: | WTNNXUJTUJZWJV-UHFFFAOYSA-N |