EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N3O |
| Net Charge | 0 |
| Average Mass | 227.267 |
| Monoisotopic Mass | 227.10586 |
| SMILES | Cc1cccc(C(=O)NNC=C2C=CC=N2)c1 |
| InChI | InChI=1S/C13H13N3O/c1-10-4-2-5-11(8-10)13(17)16-15-9-12-6-3-7-14-12/h2-9,15H,1H3,(H,16,17) |
| InChIKey | DIVOCMMEQGSSLF-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) |
| 3-methyl-N'-(2-pyrrolylidenemethyl)benzohydrazide (CHEBI:104890) is a benzoic acids (CHEBI:22723) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16252 | LINCS |