EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H12BrFN2O3 |
| Net Charge | 0 |
| Average Mass | 391.196 |
| Monoisotopic Mass | 390.00153 |
| SMILES | O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12 |
| InChI | InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23) |
| InChIKey | LKBFFDOJUKLQNY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[3-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-1-phthalazinyl]acetic acid (CHEBI:93199) is a phthalazines (CHEBI:38768) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3528 | LINCS |