Molecule

ID:107888

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Br
Molecular Mass
165.07142
Exact Mass
164.02006242
Charge
0
InChI
InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
InChIKey
NEBYCXAKZCQWAW-UHFFFAOYSA-N
Canonic Smiles
CCCCC(Br)C
Isomeric Smiles
CCCCC(C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2065527
LogD (pH = 7.4)
3.2065527
Log P
3.2065527
Molar Refractivity
37.1892
Polarizability
14.458587
Polar Surface Area
0.0
Rotatable Bonds
3
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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