Molecule

ID:58475

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₂
Molecular Mass
208.2967
Exact Mass
208.14632988
Charge
0
InChI
InChI=1S/C13H20O2/c1-15-12(14)8-13-5-9-2-10(6-13)4-11(3-9)7-13/h9-11H,2-8H2,1H3
InChIKey
MZIVXJGBKLZCKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)CC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4583046
LogD (pH = 7.4)
2.4583046
Log P
2.4583046
Molar Refractivity
57.7066
Polarizability
23.250896
Polar Surface Area
26.3
Rotatable Bonds
3
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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