EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H13F3N2O4S |
| Net Charge | 0 |
| Average Mass | 422.384 |
| Monoisotopic Mass | 422.05481 |
| SMILES | COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)nc23)c1 |
| InChI | InChI=1S/C19H13F3N2O4S/c1-27-8-3-4-13(28-2)9(5-8)11-6-10(19(20,21)22)15-16-17(29-18(15)23-11)12(25)7-14(26)24-16/h3-7H,1-2H3,(H2,24,25,26) |
| InChIKey | YRQAAFSLEDBOMM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-19696 (CHEBI:108320) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19696 | LINCS |