Molecule

ID:112323

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄
Molecular Mass
168.31896
Exact Mass
168.18780077
Charge
0
InChI
InChI=1S/C12H24/c1-9(2)11-5-7-12(8-6-11)10(3)4/h9-12H,5-8H2,1-4H3
InChIKey
GMUJGUXGVJZHSK-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCC(CC1)C(C)C)C
Isomeric Smiles
CC(C)C1CCC(CC1)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7046256
LogD (pH = 7.4)
4.7046256
Log P
4.7046256
Molar Refractivity
55.0024
Polarizability
22.164503
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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