Molecule

ID:85535

General Information
Structure
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-14(2)7-10(15)13-9-5-3-4-6-11(9)16-12(13)8-14/h9,11H,3-8H2,1-2H3
InChIKey
JDJDXJJZYDSTLY-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(C)(C)CC2=C1C1CCCCC1O2
Isomeric Smiles
O1C2=C(C3C1CCCC3)C(=O)CC(C2)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5660877
LogD (pH = 7.4)
2.5660877
Log P
2.5660877
Molar Refractivity
64.0006
Polarizability
24.85028
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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