Molecule

ID:91990

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Br
Molecular Mass
227.1408
Exact Mass
226.03571248
Charge
0
InChI
InChI=1S/C11H15Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
QICUPOFVENZWSC-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCc1ccccc1
Isomeric Smiles
BrCCCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3683505
LogD (pH = 7.4)
4.3683505
Log P
4.3683505
Molar Refractivity
57.4664
Polarizability
22.042225
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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