Molecule

ID:58480

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀
Molecular Mass
164.2872
Exact Mass
164.15650064
Charge
0
InChI
InChI=1S/C12H20/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h8-11H,3-7H2,1-2H3
InChIKey
MUQFEEYWQQZABK-UHFFFAOYSA-N
Canonic Smiles
CC1C2CC3CC1CC(C2)(C3)C
Isomeric Smiles
C1C2CC3(CC1C(C(C3)C2)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.475103
LogD (pH = 7.4)
3.475103
Log P
3.475103
Molar Refractivity
51.2197
Polarizability
20.677776
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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