EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H9N3O |
| Net Charge | 0 |
| Average Mass | 187.202 |
| Monoisotopic Mass | 187.07456 |
| SMILES | Cn1c(=O)n(CC#N)c2ccccc21 |
| InChI | InChI=1S/C10H9N3O/c1-12-8-4-2-3-5-9(8)13(7-6-11)10(12)14/h2-5H,7H2,1H3 |
| InChIKey | PUHRXUBGHPMXEK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(3-methyl-2-oxo-1-benzimidazolyl)acetonitrile (CHEBI:105903) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17264 | LINCS |