Hexan-3-One
Representations & DB's id
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| ChEBI: | CHEBI:89891 | |
|---|---|---|
| ChEMBL: | CHEMBL3184187 | |
| PubChem: | 11509 | |
| IUPAC: | hexan-3-one | |
| Standard InChI: | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 | |
| Standard InChI Key: | PFCHFHIRKBAQGU-UHFFFAOYSA-N | |
| SMILES: | CCCC(=O)CC | |
Molecular propeties
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| AlogP: | 1.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 0 | |
| Molecular Weight: | 100.09 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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