Bioactive Compound Details
| BioID | bio199611 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2047936 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.63 |
| Molecular Weight (Monoisotopic) | 193.0294 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-((2-Chlorophenyl)(Hydroxy)Methyl)Acrylonitrile |
| Smiles | C=C(C#N)C(O)c1ccccc1Cl |
| Inchi | InChI=1S/C10H8ClNO/c1-7(6-12)10(13)8-4-2-3-5-9(8)11/h2-5,10,13H,1H2 |
| Inchi Key | QGGKBLGZHRZYJT-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 11.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | -0.38 |
| Records Key | ['99', '24'] |
| Records Name | ['2-((2-chlorophenyl)(hydroxy)methyl)acrylonitrile', '2-((2-Chlorophenyl)(hydroxy)methyl)acrylonitrile'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
