Molecule

ID:8786

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Br
Molecular Mass
227.1408
Exact Mass
226.03571248
Charge
0
InChI
InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
InChIKey
SGCJPYYTVBHQGE-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)Br
Isomeric Smiles
c1(Br)ccc(CCCCC)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0336943
LogD (pH = 7.4)
5.0336943
Log P
5.0336943
Molar Refractivity
57.126
Polarizability
22.1377
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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