EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14N2O |
| Net Charge | 0 |
| Average Mass | 226.279 |
| Monoisotopic Mass | 226.11061 |
| SMILES | Cc1c(C=CC(=O)c2ccccc2)cnn1C |
| InChI | InChI=1S/C14H14N2O/c1-11-13(10-15-16(11)2)8-9-14(17)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChIKey | XDVKDZVWJIOJBT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1,5-dimethyl-4-pyrazolyl)-1-phenyl-2-propen-1-one (CHEBI:120735) is a carbonyl compound (CHEBI:36586) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32177 | LINCS |