EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H11Cl2N3O3 |
| Net Charge | 0 |
| Average Mass | 340.166 |
| Monoisotopic Mass | 339.01775 |
| SMILES | NC(=NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 |
| InChI | InChI=1S/C14H11Cl2N3O3/c15-9-4-5-12(10(16)7-9)21-8-13(20)22-19-14(17)11-3-1-2-6-18-11/h1-7H,8H2,(H2,17,19) |
| InChIKey | AAYBTXIBUFVFKT-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) |
| 2-(2,4-dichlorophenoxy)acetic acid [[amino(2-pyridinyl)methylidene]amino] ester (CHEBI:121043) is a monocarboxylic acid (CHEBI:25384) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32486 | LINCS |