Molecule

ID:86905

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Br
Molecular Mass
177.08212
Exact Mass
176.02006242
Charge
0
InChI
InChI=1S/C7H13Br/c1-3-7(2)5-4-6-8/h5H,3-4,6H2,1-2H3
InChIKey
VNXHKKCMHWXNJW-UHFFFAOYSA-N
Canonic Smiles
BrCC/C=C(/CC)\C
Isomeric Smiles
BrCC/C=C(/CC)\C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.115986
LogD (pH = 7.4)
3.115986
Log P
3.115986
Molar Refractivity
42.77
Polarizability
16.021023
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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