(4S)-1-(Furan-3-Yl)-4-Hydroxypentan-1-One
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1965801 | |
| PubChem: | 6711829 | |
| IUPAC: | (4S)-1-(furan-3-yl)-4-hydroxypentan-1-one | |
| Standard InChI: | InChI=1S/C9H12O3/c1-7(10)2-3-9(11)8-4-5-12-6-8/h4-7,10H,2-3H2,1H3/t7-/m0/s1 | |
| Standard InChI Key: | RJYQLMILDVERHH-ZETCQYMHSA-N | |
| SMILES: | C[C@@H](CCC(=O)c1cocc1)O | |
Molecular propeties
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| AlogP: | 1.62 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 168.08 | |
| Topological polar surface area: | 50.4 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.444 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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