2-[(3-chloro-2-methylanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(3-chloro-2-methylanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
2-[(3-chloro-2-methylanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | K699-0101 |
| Compound Name: | 2-[(3-chloro-2-methylanilino)methylidene]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 291.78 |
| Molecular Formula: | C16 H18 Cl N O2 |
| Smiles: | Cc1c(cccc1[Cl])NC=C1C(CC(C)(C)CC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6187 |
| logD: | 3.0238 |
| logSw: | -3.6074 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.558 |
| InChI Key: | JTBHGLYBCFQLGL-UHFFFAOYSA-N |