Molecule

ID:110384

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₂
Molecular Mass
218.29152
Exact Mass
218.13067982
Charge
0
InChI
InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3
InChIKey
FOCMOGKCPPTERB-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)OC/C=C/c1ccccc1)C
Isomeric Smiles
CC(C)CC(=O)OC/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6890607
LogD (pH = 7.4)
3.6890607
Log P
3.6890607
Molar Refractivity
66.1205
Polarizability
25.670948
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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