Elemicin
Representations & DB's id
| ||
| ChEBI: | CHEBI:68234 | |
|---|---|---|
| ChEMBL: | CHEMBL481044 | |
| PubChem: | 4276 | |
| IUPAC: | 4-methoxy-6-prop-2-enyl-1,3-benzodioxole | |
| Standard InChI: | InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 | |
| Standard InChI Key: | BNWJOHGLIBDBOB-UHFFFAOYSA-N | |
| SMILES: | C=CCc1cc(OC)c2c(c1)OCO2 | |
Molecular propeties
| ||
| AlogP: | 2.15 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 192.08 | |
| Topological polar surface area: | 27.7 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.273 | |
| Number of carbons: | 11 | |