Molecule

ID:80281

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₃
Molecular Mass
236.3068
Exact Mass
236.1412445
Charge
0
InChI
InChI=1S/C14H20O3/c1-3-4-5-6-9-17-13-8-7-12(11-15)10-14(13)16-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKey
DYJXODUYQQLNDC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1OC)C=O
Isomeric Smiles
O(c1c(ccc(c1)C=O)OCCCCCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.583442
LogD (pH = 7.4)
3.583442
Log P
3.583442
Molar Refractivity
68.644
Polarizability
26.46365
Polar Surface Area
35.53
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
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References
Bioactivity
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