Molecule

ID:58501

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀
Molecular Mass
164.2872
Exact Mass
164.15650064
Charge
0
InChI
InChI=1S/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3
InChIKey
LXTHCCWEYOKFSR-UHFFFAOYSA-N
Canonic Smiles
CCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6326523
LogD (pH = 7.4)
3.6326523
Log P
3.6326523
Molar Refractivity
51.2721
Polarizability
20.677776
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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