Molecule

ID:108282

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Br
Molecular Mass
165.07142
Exact Mass
164.02006242
Charge
0
InChI
InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChIKey
IOZOJWNUKLCDML-UHFFFAOYSA-N
Canonic Smiles
CCCC(CC)Br
Isomeric Smiles
CCCC(Br)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2845066
LogD (pH = 7.4)
3.2845066
Log P
3.2845066
Molar Refractivity
37.1122
Polarizability
14.45872
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
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Molecule Details
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References
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Bioactivity
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