HuagongsheHuagongshe Chemistry Print Report · For research reference only
Melatonin Impurity 3
Identifiers & Physical Properties
| Molecular formula | C15H18N2O3 |
|---|---|
| Average molar mass | 274.31 g/mol |
| SMILES | COc1ccc2[nH]cc(CCN(C(C)=O)C(C)=O)c2c1 |
| InChIKey | SLGCOUNLXHYCER-UHFFFAOYSA-N |
| PubChem CID | 832313 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 62.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 358 |