| BioID | bio199134 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL227520 |
|---|
| Molecular Formula | C11H11NO2 |
|---|
| Molecular Weight | 189.21 |
|---|
| Molecular Weight (Monoisotopic) | 189.079 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Hydroxy(2-Methoxyphenyl)Methyl)Acrylonitrile |
|---|
| Smiles | C=C(C#N)C(O)c1ccccc1OC |
|---|
| Inchi | InChI=1S/C11H11NO2/c1-8(7-12)11(13)9-5-3-4-6-10(9)14-2/h3-6,11,13H,1H2,2H3 |
|---|
| Inchi Key | RNDJOQBIKYHSBZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -0.06 |
|---|
| Records Key | ['96', '10'] |
|---|
| Records Name | ['2-(hydroxy(2-methoxyphenyl)methyl)acrylonitrile', '2-(hydroxy(2-methoxyphenyl)methyl)acrylonitrile'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
