Acetic Acid Pentyl Ester
Representations & DB's id
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| ChEBI: | CHEBI:87362 | |
|---|---|---|
| ChEMBL: | CHEMBL47769 | |
| PubChem: | 12348 | |
| IUPAC: | pentyl acetate | |
| Standard InChI: | InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 | |
| Standard InChI Key: | PGMYKACGEOXYJE-UHFFFAOYSA-N | |
| SMILES: | CCCCCOC(=O)C | |
Molecular propeties
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| AlogP: | 1.74 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 130.1 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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