EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12N2O3 |
| Net Charge | 0 |
| Average Mass | 280.283 |
| Monoisotopic Mass | 280.08479 |
| SMILES | N#CC(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1 |
| InChI | InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21) |
| InChIKey | HKHOVJYOELRGMV-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-3-(3,4-dihydroxyphenyl)-N-phenyl-2-propenamide (CHEBI:92604) is a hydroxycinnamic acid (CHEBI:24689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2755 | LINCS |