2-Octadecanone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3273576 | |
| PubChem: | 81844 | |
| IUPAC: | octadecan-2-one | |
| Standard InChI: | InChI=1S/C18H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19/h3-17H2,1-2H3 | |
| Standard InChI Key: | PJLJQAWUAPNCJC-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCCCCCCC(=O)C | |
Molecular propeties
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| AlogP: | 6.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 15 | |
| Number of rings: | 0 | |
| Molecular Weight: | 268.28 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.944 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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