| BioID | bio200250 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL227821 |
|---|
| Molecular Formula | C11H8F3NO |
|---|
| Molecular Weight | 227.19 |
|---|
| Molecular Weight (Monoisotopic) | 227.0558 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Hydroxy(4-(Trifluoromethyl)Phenyl)Methyl)Acrylonitrile |
|---|
| Smiles | C=C(C#N)C(O)c1ccc(C(F)(F)F)cc1 |
|---|
| Inchi | InChI=1S/C11H8F3NO/c1-7(6-15)10(16)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,1H2 |
|---|
| Inchi Key | VANVANNXAKFOOY-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -0.51 |
|---|
| Records Key | ['6'] |
|---|
| Records Name | ['2-(hydroxy(4-(trifluoromethyl)phenyl)methyl)acrylonitrile'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
