EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H21BrN2O2 |
| Net Charge | 0 |
| Average Mass | 341.249 |
| Monoisotopic Mass | 340.07864 |
| SMILES | CC(C)(C)C1CCC(=NNC(=O)c2ccc(Br)o2)CC1 |
| InChI | InChI=1S/C15H21BrN2O2/c1-15(2,3)10-4-6-11(7-5-10)17-18-14(19)12-8-9-13(16)20-12/h8-10H,4-7H2,1-3H3,(H,18,19)/b17-11- |
| InChIKey | XCHVPYSFXMFKGF-BOPFTXTBSA-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) |
| 5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide (CHEBI:115686) is a furoic acid (CHEBI:36055) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27143 | LINCS |