EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13ClF3NO3 |
| Net Charge | 0 |
| Average Mass | 383.753 |
| Monoisotopic Mass | 383.05361 |
| SMILES | O=c1nc2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO |
| InChI | InChI=1S/C18H13ClF3NO3/c19-10-2-4-15(25)13(8-10)16-11(5-6-24)17(26)23-14-3-1-9(7-12(14)16)18(20,21)22/h1-4,7-8,24-25H,5-6H2,(H,23,26) |
| InChIKey | QESHSZWKJULSAR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bms-223131 (CHEBI:748766) is a quinolines (CHEBI:26513) |
| Synonym | Source |
|---|---|
| Bms-223131 | ChEMBL |
| Citations |
|---|