3-{[(2-hydroxy-5-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-{[(2-hydroxy-5-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
3-{[(2-hydroxy-5-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 8005-6430 |
| Compound Name: | 3-{[(2-hydroxy-5-methylphenyl)imino]methyl}phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C21 H15 N3 O7 |
| Smiles: | Cc1ccc(c(c1)/N=C/c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.2649 |
| logD: | 3.9733 |
| logSw: | -4.3192 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.357 |
| InChI Key: | QOWNCAIDUNSOJO-UHFFFAOYSA-N |