Molecule

ID:50134

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-4-8-16-14-7-6-12(11(3)5-2)9-13(14)10-15/h6-7,9-11H,4-5,8H2,1-3H3
InChIKey
GDVLVQDDCANCIZ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1C=O)C(CC)C
Isomeric Smiles
c1(cc(ccc1OCCC)C(CC)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.096985
LogD (pH = 7.4)
4.096985
Log P
4.096985
Molar Refractivity
67.1696
Polarizability
25.717203
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
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References
Bioactivity
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