| BioID | bio199622 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL445826 |
|---|
| Molecular Formula | C10H8N2O3 |
|---|
| Molecular Weight | 204.19 |
|---|
| Molecular Weight (Monoisotopic) | 204.0535 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(Hydroxy(3-Nitrophenyl)Methyl)Acrylonitrile|2-[Hydroxy(3-Nitrophenyl)Methyl]Acrylonitrile |
|---|
| Smiles | C=C(C#N)C(O)c1cccc([N+](=O)[O-])c1 |
|---|
| Inchi | InChI=1S/C10H8N2O3/c1-7(6-11)10(13)8-3-2-4-9(5-8)12(14)15/h2-5,10,13H,1H2 |
|---|
| Inchi Key | QWFADYMZFDPSSG-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.82 |
|---|
| Records Key | ['69', '2'] |
|---|
| Records Name | ['2-(hydroxy(3-nitrophenyl)methyl)acrylonitrile', '2-[Hydroxy(3-nitrophenyl)methyl]acrylonitrile'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
