You are looking to Safrole
General Information
Pubchem ID: 5144
IUPAC Name: 5-prop-2-enyl-1,3-benzodioxole
Synonym/s: Shikimole, Safrene
Molecular Formula: C10H10O2S2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 162.1800
Number of Atoms: 22
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): 46.110
Physico-chemical Properties
Volume (cm³ • mol-1 ): 578.78
Solvent Accessible Surface Area (Ų): 357.39
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: None
AlogP: 2.60
Polar Surface Area (Å): 18.73
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Satisfied
Functional Group/s
Alkene
Acetal
Ether
Benzene Ring