You are looking to Methyl benzoate
General Information
Pubchem ID: 7150
IUPAC Name: methyl benzoate
Synonym/s: Clorius, Niobe oil
Molecular Formula: C8H8O2
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 136.1500
Number of Atoms: 18
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): 37.580
Physico-chemical Properties
Volume (cm³ • mol-1 ): 0.00
Solvent Accessible Surface Area (Ų): 0.00
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 2
Total Charge: 0
pKa: None
AlogP: 1.68
Polar Surface Area (Å): 26.30
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Ester
Benzene Ring