Petroselenic Acid
Representations & DB's id
| ||
| ChEBI: | CHEBI:28194 | |
|---|---|---|
| ChEMBL: | CHEMBL3139878 | |
| PubChem: | 5281125 | |
| IUPAC: | (Z)-octadec-6-enoic acid | |
| Standard InChI: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12- | |
| Standard InChI Key: | CNVZJPUDSLNTQU-SEYXRHQNSA-N | |
| SMILES: | CCCCCCCCCCC/C=CCCCCC(=O)O | |
Molecular propeties
| ||
| AlogP: | 6.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 15 | |
| Number of rings: | 0 | |
| Molecular Weight: | 282.26 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.833 | |
| Number of carbons: | 18 | |