EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H14Cl2N2O2 |
| Net Charge | 0 |
| Average Mass | 361.228 |
| Monoisotopic Mass | 360.04323 |
| SMILES | CC1CC1c1ccc(C=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 |
| InChI | InChI=1S/C18H14Cl2N2O2/c1-10-6-14(10)17-5-3-13(24-17)7-11(9-21)18(23)22-16-4-2-12(19)8-15(16)20/h2-5,7-8,10,14H,6H2,1H3,(H,22,23) |
| InChIKey | WZTWKKZBWRGELO-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyano-N-(2,4-dichlorophenyl)-3-[5-(2-methylcyclopropyl)-2-furanyl]-2-propenamide (CHEBI:121952) is a heterocyclic fatty acid (CHEBI:48847) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33395 | LINCS |