[(Z)-Hex-3-Enyl] Benzoate
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL3182851 | |
| PubChem: | 5367706 | |
| IUPAC: | [(Z)-hex-3-enyl] benzoate | |
| Standard InChI: | InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3- | |
| Standard InChI Key: | BCOXBEHFBZOJJZ-ARJAWSKDSA-N | |
| SMILES: | CC/C=CCCOC(=O)c1ccccc1 | |
Molecular propeties
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| AlogP: | 3.2 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 204.12 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.308 | |
| Number of carbons: | 13 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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