EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H10ClF3N2O2 |
| Net Charge | 0 |
| Average Mass | 330.693 |
| Monoisotopic Mass | 330.03829 |
| SMILES | O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1O |
| InChI | InChI=1S/C14H10ClF3N2O2/c15-9-4-5-12(21)11(7-9)20-13(22)19-10-3-1-2-8(6-10)14(16,17)18/h1-7,21H,(H2,19,20,22) |
| InChIKey | KRHJDJMOIKRPNN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NS 1608 (CHEBI:34878) is a ureas (CHEBI:47857) |
| Synonym | Source |
|---|---|
| NS 1608 | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C13835 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:160383-80-2 | KEGG COMPOUND |