HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-[3-(4-Chloro-phenyl)-allyl]-piperazine-2,3-dione
![1-[3-(4-Chloro-phenyl)-allyl]-piperazine-2,3-dione molecular structure](/img/chemical/68898467.png)
Identifiers & Physical Properties
| Molecular formula | C13H13ClN2O2 |
|---|---|
| Average molar mass | 264.71 g/mol |
| Monoisotopic mass | 264.0665554 g/mol |
| SMILES | O=C1NCCN(CC=Cc2ccc(Cl)cc2)C1=O |
| InChIKey | OBRBIGZBFRRFOL-UHFFFAOYSA-N |
| PubChem CID | 68898467 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 49.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 349 |