EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13N3O3 |
| Net Charge | 0 |
| Average Mass | 271.276 |
| Monoisotopic Mass | 271.09569 |
| SMILES | COc1ccc(C(=O)ON=C(C)c2cnccn2)cc1 |
| InChI | InChI=1S/C14H13N3O3/c1-10(13-9-15-7-8-16-13)17-20-14(18)11-3-5-12(19-2)6-4-11/h3-9H,1-2H3 |
| InChIKey | LJQSQFNRJNKCTF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methoxybenzoic acid [1-(2-pyrazinyl)ethylideneamino] ester (CHEBI:121692) is a methoxybenzoic acid (CHEBI:25238) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33135 | LINCS |