Benzoic Acid Hexyl Ester
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2260717 | |
| PubChem: | 23235 | |
| IUPAC: | hexyl benzoate | |
| Standard InChI: | InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 | |
| Standard InChI Key: | UUGLJVMIFJNVFH-UHFFFAOYSA-N | |
| SMILES: | CCCCCCOC(=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 1 | |
| Molecular Weight: | 206.13 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.462 | |
| Number of carbons: | 13 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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