HuagongsheHuagongshe Chemistry Print Report · For research reference only
(E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
Identifiers & Physical Properties
| CAS No. | 31191-21-6 |
|---|---|
| Molecular formula | C16H14N2O3 |
| Average molar mass | 282.29 g/mol |
| Monoisotopic mass | 282.10044231 g/mol |
| SMILES | Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 |
| InChIKey | VPNQICVSXJMXGC-JXMROGBWSA-N |
| PubChem CID | 5351237 |
| ChEMBL | CHEMBL2006535 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 74.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 395 |