2-Heptadecanone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3273575 | |
| PubChem: | 18027 | |
| IUPAC: | heptadecan-2-one | |
| Standard InChI: | InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3 | |
| Standard InChI Key: | TVTCXPXLRKTHAU-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCCCCCC(=O)C | |
Molecular propeties
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| AlogP: | 6.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 0 | |
| Molecular Weight: | 254.26 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.941 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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