| BioID | bio197586 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2047940 |
|---|
| Molecular Formula | C12H13NO5 |
|---|
| Molecular Weight | 251.24 |
|---|
| Molecular Weight (Monoisotopic) | 251.0794 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | Ethyl 2-(Hydroxy(3-Nitrophenyl)Methyl)Acrylate |
|---|
| Smiles | C=C(C(=O)OCC)C(O)c1cccc([N+](=O)[O-])c1 |
|---|
| Inchi | InChI=1S/C12H13NO5/c1-3-18-12(15)8(2)11(14)9-5-4-6-10(7-9)13(16)17/h4-7,11,14H,2-3H2,1H3 |
|---|
| Inchi Key | LYWCTQNSDPYAEM-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -0.44 |
|---|
| Records Key | ['103'] |
|---|
| Records Name | ['ethyl 2-(hydroxy(3-nitrophenyl)methyl)acrylate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
