Molecule

ID:88607

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1,3-8H2,2H3
InChIKey
MZVABYGYVXBZDP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
O(C12CC3CC(C1)CC(C3)C2)C(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3991315
LogD (pH = 7.4)
3.3991315
Log P
3.3991315
Molar Refractivity
62.0344
Polarizability
24.85028
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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