Safrole
Representations & DB's id
| ||
| ChEBI: | CHEBI:8994 | |
|---|---|---|
| ChEMBL: | CHEMBL242273 | |
| PubChem: | 5144 | |
| IUPAC: | 5-prop-2-enyl-1,3-benzodioxole | |
| Standard InChI: | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 | |
| Standard InChI Key: | ZMQAAUBTXCXRIC-UHFFFAOYSA-N | |
| SMILES: | C=CCc1ccc2c(c1)OCO2 | |
Molecular propeties
| ||
| AlogP: | 2.14 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 2 | |
| Molecular Weight: | 162.07 | |
| Topological polar surface area: | 18.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 10 | |