Acetic Acid Propyl Ester
Representations & DB's id
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| ChEBI: | CHEBI:40116 | |
|---|---|---|
| ChEMBL: | CHEMBL44857 | |
| PubChem: | 7997 | |
| IUPAC: | propyl acetate | |
| Standard InChI: | InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3 | |
| Standard InChI Key: | YKYONYBAUNKHLG-UHFFFAOYSA-N | |
| SMILES: | CCCOC(=O)C | |
Molecular propeties
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| AlogP: | 0.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 102.07 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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