Molecule

ID:50667

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅Br
Molecular Mass
191.1087
Exact Mass
190.03571248
Charge
0
InChI
InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h2H,1,3-8H2
InChIKey
SNMOMUYLFLGQQS-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCC=C
Isomeric Smiles
C=CCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8196957
LogD (pH = 7.4)
3.8196957
Log P
3.8196957
Molar Refractivity
46.6175
Polarizability
17.84269
Polar Surface Area
0.0
Rotatable Bonds
6
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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