Molecule

ID:50666

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃Br
Molecular Mass
177.08212
Exact Mass
176.02006242
Charge
0
InChI
InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
InChIKey
GNYDYUQVALBGGZ-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCC=C
Isomeric Smiles
C=CCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.375127
LogD (pH = 7.4)
3.375127
Log P
3.375127
Molar Refractivity
42.0165
Polarizability
16.020866
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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