EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H12F6N4O3 |
| Net Charge | 0 |
| Average Mass | 470.329 |
| Monoisotopic Mass | 470.08136 |
| SMILES | O=C(Nc1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccco2)on1 |
| InChI | InChI=1S/C20H12F6N4O3/c21-19(22,23)12-4-3-11(14(6-12)20(24,25)26)9-30-10-13(8-27-30)28-18(31)15-7-17(33-29-15)16-2-1-5-32-16/h1-8,10H,9H2,(H,28,31) |
| InChIKey | UJTDYOXTXGBHEG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ceapin-A7 (CHEBI:747296) is a organic molecular entity (CHEBI:50860) |
| Registry Numbers | Sources |
|---|---|
| CAS:2323027-38-7 | CAS |