Molecule

ID:109824

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₂
Molecular Mass
208.2967
Exact Mass
208.14632988
Charge
0
InChI
InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3
InChIKey
DFVXNZOMAOGTBL-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC1CC(CC=C1C)C(=C)C
Isomeric Smiles
CCC(=O)OC1CC(CC=C1C)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.130663
LogD (pH = 7.4)
3.130663
Log P
3.130663
Molar Refractivity
61.7742
Polarizability
24.229239
Polar Surface Area
26.3
Rotatable Bonds
4
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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