(E)-Hexadec-9-Enoic Acid
Representations & DB's id
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| ChEBI: | CHEBI:59265 | |
|---|---|---|
| ChEMBL: | CHEMBL3182018 | |
| PubChem: | 5282745 | |
| IUPAC: | (E)-hexadec-9-enoic acid | |
| Standard InChI: | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+ | |
| Standard InChI Key: | SECPZKHBENQXJG-BQYQJAHWSA-N | |
| SMILES: | CCCCCC/C=C/CCCCCCCC(=O)O | |
Molecular propeties
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| AlogP: | 5.33 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 13 | |
| Number of rings: | 0 | |
| Molecular Weight: | 254.22 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.812 | |
| Number of carbons: | 16 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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