EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H10F6N2O2 |
| Net Charge | 0 |
| Average Mass | 352.234 |
| Monoisotopic Mass | 352.06465 |
| SMILES | O=C(O)CCn1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 |
| InChI | InChI=1S/C14H10F6N2O2/c15-13(16,17)9-5-8(6-10(7-9)14(18,19)20)11-1-3-22(21-11)4-2-12(23)24/h1,3,5-7H,2,4H2,(H,23,24) |
| InChIKey | WSFKMLQSYRCAQE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| stg-001 (CHEBI:758206) is a pyrazoles (CHEBI:26410) |
| stg-001 (CHEBI:758206) is a ring assembly (CHEBI:36820) |
| Synonym | Source |
|---|---|
| STG-001 | ChEMBL |