Molecule

ID:27578

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-4-5-6-14(15)12-7-9-13(10-8-12)16-11(2)3/h7-11H,4-6H2,1-3H3
InChIKey
ISMAUWIWSVCAGV-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)c1ccc(cc1)OC(C)C
Isomeric Smiles
C(=O)(c1ccc(OC(C)C)cc1)CCCC
Calculated Properties
JChem
Acid pKa
17.36229
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7362783
LogD (pH = 7.4)
3.7362783
Log P
3.7362783
Molar Refractivity
65.9203
Polarizability
25.794436
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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