Molecule

ID:7868

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16)
InChIKey
VZECIAZMSHBQOC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCc1ccccc1
Isomeric Smiles
OC(=O)CCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.8213077
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5176983
LogD (pH = 7.4)
1.7446748
Log P
4.278406
Molar Refractivity
64.9716
Polarizability
25.496723
Polar Surface Area
37.3
Rotatable Bonds
8
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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