Ligustilide
Representations & DB's id
| ||
| ChEBI: | CHEBI:68232 | |
|---|---|---|
| ChEMBL: | CHEMBL481246 | |
| PubChem: | 5319022 | |
| IUPAC: | (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8- | |
| Standard InChI Key: | IQVQXVFMNOFTMU-FLIBITNWSA-N | |
| SMILES: | CCC/C=C/1OC(=O)C2=C1CCC=C2 | |
Molecular propeties
| ||
| AlogP: | 2.87 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 190.1 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |