Octanal
Representations & DB's id
| ||
| ChEBI: | CHEBI:17935 | |
|---|---|---|
| ChEMBL: | CHEMBL18407 | |
| PubChem: | 454 | |
| IUPAC: | octanal | |
| Standard InChI: | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 | |
| Standard InChI Key: | NUJGJRNETVAIRJ-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCC=O | |
Molecular propeties
| ||
| AlogP: | 2.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| 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 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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