EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:91542 - 5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene
| Formula | C13H15ClN2 |
| Net Charge | 0 |
| Average Mass | 234.730 |
| Monoisotopic Mass | 234.09238 |
| SMILES | Clc1ccc(C2=CCCC3CCC2N3)cn1 |
| InChI | InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2 |
| InChIKey | TVSNVPGPFGAKPT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-ene (CHEBI:91542) is a azepine (CHEBI:48105) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1331 | LINCS |