Molecule

ID:73801

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Br
Molecular Mass
225.12492
Exact Mass
224.02006242
Charge
0
InChI
InChI=1S/C11H13Br/c1-9-5-3-4-6-11(9)8-7-10(2)12/h3-6H,2,7-8H2,1H3
InChIKey
WRYLQRYSPKQJFI-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)CCc1ccccc1C
Isomeric Smiles
BrC(=C)CCc1ccccc1C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.27537
LogD (pH = 7.4)
4.27537
Log P
4.27537
Molar Refractivity
57.6757
Polarizability
21.737791
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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