Molecule

ID:110293

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₃
Molecular Mass
236.3068
Exact Mass
236.1412445
Charge
0
InChI
InChI=1S/C14H20O3/c1-5-11(13(15)6-2)12-8-7-10(16-3)9-14(12)17-4/h7-9,11H,5-6H2,1-4H3
InChIKey
MFEDPAWDBIPBCL-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1OC)OC)C(=O)CC
Isomeric Smiles
CCC(C(=O)CC)c1ccc(OC)cc1OC
Calculated Properties
JChem
Acid pKa
16.080599
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3133678
LogD (pH = 7.4)
3.3133678
Log P
3.3133678
Molar Refractivity
67.6455
Polarizability
26.479628
Polar Surface Area
35.53
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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