Hexyl Hexanoate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3187323 | |
| PubChem: | 22873 | |
| IUPAC: | hexyl hexanoate | |
| Standard InChI: | InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3 | |
| Standard InChI Key: | NCDCLPBOMHPFCV-UHFFFAOYSA-N | |
| SMILES: | CCCCCCOC(=O)CCCCC | |
Molecular propeties
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| AlogP: | 3.69 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 0 | |
| Molecular Weight: | 200.18 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.917 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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