Bioactive Compound Details
| BioID | bio197930 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1801626 |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.06 |
| Molecular Weight (Monoisotopic) | 222.9633 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3-(2-Bromoacetyl)Benzonitrile |
| Smiles | N#Cc1cccc(C(=O)CBr)c1 |
| Inchi | InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2 |
| Inchi Key | XWCGNFLHRINYCE-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.52 |
| Records Key | ['27'] |
| Records Name | ['3-(2-Bromoacetyl)benzonitrile'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
