EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H8ClN3O2S |
| Net Charge | 0 |
| Average Mass | 281.724 |
| Monoisotopic Mass | 281.00258 |
| SMILES | O=C(NC(=S)Nc1cccnc1Cl)c1ccco1 |
| InChI | InChI=1S/C11H8ClN3O2S/c12-9-7(3-1-5-13-9)14-11(18)15-10(16)8-4-2-6-17-8/h1-6H,(H2,14,15,16,18) |
| InChIKey | ACHZMBMZCATIQR-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) |
| N-[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]-2-furancarboxamide (CHEBI:116460) is a furoic acid (CHEBI:36055) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27914 | LINCS |