Ethyl Benzoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL510714 | |
| PubChem: | 7165 | |
| IUPAC: | ethyl benzoate | |
| Standard InChI: | InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 | |
| Standard InChI Key: | MTZQAGJQAFMTAQ-UHFFFAOYSA-N | |
| SMILES: | CCOC(=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 1.86 | |
|---|---|---|
| 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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