EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16N2O2 |
| Net Charge | 0 |
| Average Mass | 232.283 |
| Monoisotopic Mass | 232.12118 |
| SMILES | O=C(O)c1ccccc1NN=C1CCCCC1 |
| InChI | InChI=1S/C13H16N2O2/c16-13(17)11-8-4-5-9-12(11)15-14-10-6-2-1-3-7-10/h4-5,8-9,15H,1-3,6-7H2,(H,16,17) |
| InChIKey | WPTNECWJEHGCKG-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-cyclohexylidenehydrazinyl)benzoic acid (CHEBI:109471) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20868 | LINCS |