3-Octanone
Representations & DB's id
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| ChEBI: | CHEBI:80946 | |
|---|---|---|
| ChEMBL: | CHEMBL2269087 | |
| PubChem: | 246728 | |
| IUPAC: | octan-3-one | |
| Standard InChI: | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 | |
| Standard InChI Key: | RHLVCLIPMVJYKS-UHFFFAOYSA-N | |
| SMILES: | CCCCCC(=O)CC | |
Molecular propeties
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| AlogP: | 2.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 128.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.875 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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