Molecule

ID:110538

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄
Molecular Mass
86.17536
Exact Mass
86.10955045
Charge
0
InChI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
AFABGHUZZDYHJO-UHFFFAOYSA-N
Canonic Smiles
CCCC(C)C
Isomeric Smiles
CCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9735882
LogD (pH = 7.4)
2.9735882
Log P
2.9735882
Molar Refractivity
29.3558
Polarizability
11.829248
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
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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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