Molecule

ID:111707

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O₃
Molecular Mass
240.33856
Exact Mass
240.17254463
Charge
0
InChI
InChI=1S/C14H24O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h12H,2-11H2,1H3
InChIKey
YOWKKGPNCDIFFB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC1CC(=O)OC1=O
Isomeric Smiles
CCCCCCCCCCC1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2797933
LogD (pH = 7.4)
4.2797933
Log P
4.2797933
Molar Refractivity
66.3151
Polarizability
26.625702
Polar Surface Area
43.37
Rotatable Bonds
9
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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