HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-{[(4-Cyanophenyl)carbamoyl]amino}nonanoic acid
![3-{[(4-Cyanophenyl)carbamoyl]amino}nonanoic acid molecular structure](/img/chemical/85608564.png)
Identifiers & Physical Properties
| CAS No. | 129042-82-6 |
|---|---|
| Molecular formula | C17H23N3O3 |
| Average molar mass | 317.4 g/mol |
| Monoisotopic mass | 317.1739416 g/mol |
| SMILES | CCCCCCC(CC(=O)O)NC(=O)Nc1ccc(C#N)cc1 |
| InChIKey | VBAIQCXZQREQBA-UHFFFAOYSA-N |
| PubChem CID | 85608564 |
| DTXSID | DTXSID901211794 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 102 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 422 |