EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19BrClNO2 |
| Net Charge | 0 |
| Average Mass | 396.712 |
| Monoisotopic Mass | 395.02877 |
| SMILES | COc1ccc(CNC2CC2c2ccc(Br)cc2)c(Cl)c1OC |
| InChI | InChI=1S/C18H19BrClNO2/c1-22-16-8-5-12(17(20)18(16)23-2)10-21-15-9-14(15)11-3-6-13(19)7-4-11/h3-8,14-15,21H,9-10H2,1-2H3 |
| InChIKey | LJSCHEYZTSVWCB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-bromophenyl)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopropanamine (CHEBI:125410) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36896 | LINCS |