Molecule
ID:73723
General Information
Molecular Formula
C₈H₁₅Br
Molecular Mass
191.1087
Exact Mass
190.03571248
Charge
0
InChI
InChI=1S/C8H15Br/c1-3-4-5-6-7-8(2)9/h2-7H2,1H3
InChIKey
NLKXPBFMZLDRSX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(=C)Br
Isomeric Smiles
BrC(=C)CCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.961851
LogD (pH = 7.4)
3.961851
Log P
3.961851
Molar Refractivity
46.3425
Polarizability
17.860052
Polar Surface Area
0.0
Rotatable Bonds
5
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
No Data Available
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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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