Methyl 2-Phenylacetate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3189123 | |
| PubChem: | 7559 | |
| IUPAC: | methyl 2-phenylacetate | |
| Standard InChI: | InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 | |
| Standard InChI Key: | CRZQGDNQQAALAY-UHFFFAOYSA-N | |
| SMILES: | COC(=O)Cc1ccccc1 | |
Molecular propeties
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| AlogP: | 1.4 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 150.07 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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