Molecule

ID:112187

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁Br
Molecular Mass
151.04484
Exact Mass
150.00441235
Charge
0
InChI
InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey
XKVLZBNEPALHIO-UHFFFAOYSA-N
Canonic Smiles
CCC(CBr)C
Isomeric Smiles
CCC(C)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.710382
LogD (pH = 7.4)
2.710382
Log P
2.710382
Molar Refractivity
32.641
Polarizability
12.648187
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
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Molecule Details
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References
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Bioactivity
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